3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine

C27H32N4 — CID 18414455

IUPAC3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNc1cccc(-c2ccc(CCN3CC4C(C3)C4NCCCc3ccccc3)cc2)n1
InChIInChI=1S/C27H32N4/c28-26-10-4-9-25(30-26)22-13-11-21(12-14-22)15-17-31-18-23-24(19-31)27(23)29-16-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-14,23-24,27,29H,5,8,15-19H2,(H2,28,30)
InChIKeyBDOHLXWYGIUYOY-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.03
Rot. Bonds9

About 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine

3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 18414455) has the molecular formula C27H32N4 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID18414455
Molecular FormulaC27H32N4
Molecular Weight412.58 g/mol
Exact Mass412.26
IUPAC Name3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNc1cccc(-c2ccc(CCN3CC4C(C3)C4NCCCc3ccccc3)cc2)n1
InChIInChI=1S/C27H32N4/c28-26-10-4-9-25(30-26)22-13-11-21(12-14-22)15-17-31-18-23-24(19-31)27(23)29-16-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-14,23-24,27,29H,5,8,15-19H2,(H2,28,30)
InChIKeyBDOHLXWYGIUYOY-UHFFFAOYSA-N
XLogP4.03
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Related Compounds

2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
CID 18414488
6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
CID 18414443
N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide
CID 18414515
6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
CID 12016074
6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414394
6-[4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414414
1-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-1-benzylurea
CID 57279783
6-[[(3S,4S)-1-(2-aminoethyl)-4-(3-phenylpropylamino)pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 52942270
6-[4-(2-aminoethyl)phenyl]pyridin-2-amine
CID 11310407
8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 18414542
N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 70006888
6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 161043442

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 18414455) is 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine is Nc1cccc(-c2ccc(CCN3CC4C(C3)C4NCCCc3ccccc3)cc2)n1.
What is the InChIKey of 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is BDOHLXWYGIUYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4/c28-26-10-4-9-25(30-26)22-13-11-21(12-14-22)15-17-31-18-23-24(19-31)27(23)29-16-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-14,23-24,27,29H,5,8,15-19H2,(H2,28,30).
What are the key properties of 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine?
3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 412.58 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 18414455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).