N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine

C12H20ClN3 — CID 106116507

IUPACN-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1ccncc1Cl
InChIInChI=1S/C12H20ClN3/c1-2-3-10(4-6-14)8-16-12-5-7-15-9-11(12)13/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,15,16)
InChIKeyOHNVPDLWWKRFDE-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.91
Rot. Bonds7

About N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine

N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine (PubChem CID 106116507) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine
PubChem CID106116507
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1ccncc1Cl
InChIInChI=1S/C12H20ClN3/c1-2-3-10(4-6-14)8-16-12-5-7-15-9-11(12)13/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,15,16)
InChIKeyOHNVPDLWWKRFDE-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-4-amine
CID 106117270
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
CID 107156107
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235
3-N-(3-chloro-4-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165698
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine
CID 106116387
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
CID 104577268
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine (CID 106116507) is N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine is CCCC(CCN)CNc1ccncc1Cl.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine?
The InChIKey is OHNVPDLWWKRFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-2-3-10(4-6-14)8-16-12-5-7-15-9-11(12)13/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine?
N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine has a molecular weight of 241.77 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine is sourced from PubChem (CID 106116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).