1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

C16H30N4 — CID 79062404

IUPAC1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cccnc1N)C(CC)(CC)N(C)C
InChIInChI=1S/C16H30N4/c1-6-16(7-2,20(4)5)14(18-8-3)12-13-10-9-11-19-15(13)17/h9-11,14,18H,6-8,12H2,1-5H3,(H2,17,19)
InChIKeyCTVUCGMQNBUNRX-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.30
Rot. Bonds8

About 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 79062404) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID79062404
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cccnc1N)C(CC)(CC)N(C)C
InChIInChI=1S/C16H30N4/c1-6-16(7-2,20(4)5)14(18-8-3)12-13-10-9-11-19-15(13)17/h9-11,14,18H,6-8,12H2,1-5H3,(H2,17,19)
InChIKeyCTVUCGMQNBUNRX-UHFFFAOYSA-N
XLogP2.30
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(dimethylamino)-3-ethyl-2-hydrazinylpentyl]pyridin-2-amine
CID 105241861
3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
CID 116759404
1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
CID 79062350
3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 79522491
1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064224
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058846
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 114894906
1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058869
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
3-[2-(ethylamino)-2-(3-ethyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 115387989

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (CID 79062404) is 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is CCNC(Cc1cccnc1N)C(CC)(CC)N(C)C.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is CTVUCGMQNBUNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-16(7-2,20(4)5)14(18-8-3)12-13-10-9-11-19-15(13)17/h9-11,14,18H,6-8,12H2,1-5H3,(H2,17,19).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79062404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).