6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

C33H41N7 — CID 159011220

IUPAC6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN(C)C1C2CN(CCc3ccc(-c4cccc(N)n4)cc3)CC21.NCCc1ccc(-c2cccc(N)n2)cc1
InChIInChI=1S/C20H26N4.C13H15N3/c1-23(2)20-16-12-24(13-17(16)20)11-10-14-6-8-15(9-7-14)18-4-3-5-19(21)22-18;14-9-8-10-4-6-11(7-5-10)12-2-1-3-13(15)16-12/h3-9,16-17,20H,10-13H2,1-2H3,(H2,21,22);1-7H,8-9,14H2,(H2,15,16)
InChIKeyJSMYGXYOTVPOQX-UHFFFAOYSA-N
MW535.74 g/mol
LogP4.20
Rot. Bonds8

About 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 159011220) has the molecular formula C33H41N7 and a molecular weight of 535.74 g/mol. Its IUPAC name is 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID159011220
Molecular FormulaC33H41N7
Molecular Weight535.74 g/mol
Exact Mass535.34
IUPAC Name6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCN(C)C1C2CN(CCc3ccc(-c4cccc(N)n4)cc3)CC21.NCCc1ccc(-c2cccc(N)n2)cc1
InChIInChI=1S/C20H26N4.C13H15N3/c1-23(2)20-16-12-24(13-17(16)20)11-10-14-6-8-15(9-7-14)18-4-3-5-19(21)22-18;14-9-8-10-4-6-11(7-5-10)12-2-1-3-13(15)16-12/h3-9,16-17,20H,10-13H2,1-2H3,(H2,21,22);1-7H,8-9,14H2,(H2,15,16)
InChIKeyJSMYGXYOTVPOQX-UHFFFAOYSA-N
XLogP4.20
TPSA110.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.74
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[(2s)-2-Amino-2-{3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]phenyl}ethyl]-4-Methylpyridin-2-Amine
CID 73659112
(R)-6-(2-Amino-2-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659113
6,6'-{[4-(3-Aminopropyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71304801
6-{4-[2-(4-Phenethyl-piperazin-1-yl)-ethyl]-phenyl}-pyridin-2-ylamine
CID 15512769
6-{4-[2-(4-Isobutyl-piperazin-1-yl)-ethyl]-phenyl}-pyridin-2-ylamine
CID 18414528
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[2-(3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 25210263
6-[2-[4-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
CID 46892699
4-(4-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine
CID 46892700
trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-phenethylethane-1,2-diamine
CID 49837388
6-[2-[6-[1-Amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine
CID 90656640
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 44570882
6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11573395

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 159011220) is 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is CN(C)C1C2CN(CCc3ccc(-c4cccc(N)n4)cc3)CC21.NCCc1ccc(-c2cccc(N)n2)cc1.
What is the InChIKey of 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is JSMYGXYOTVPOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4.C13H15N3/c1-23(2)20-16-12-24(13-17(16)20)11-10-14-6-8-15(9-7-14)18-4-3-5-19(21)22-18;14-9-8-10-4-6-11(7-5-10)12-2-1-3-13(15)16-12/h3-9,16-17,20H,10-13H2,1-2H3,(H2,21,22);1-7H,8-9,14H2,(H2,15,16).
What are the key properties of 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 535.74 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminoethyl)phenyl]pyridin-2-amine;3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 159011220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).