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

C10H16ClN3 — CID 79840509

IUPACN'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)c1ccncc1Cl
InChIInChI=1S/C10H16ClN3/c1-8(5-12)7-14(2)10-3-4-13-6-9(10)11/h3-4,6,8H,5,7,12H2,1-2H3
InChIKeyZCCJFTPKHKQMSH-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.77
Rot. Bonds4

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

N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 79840509) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID79840509
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)c1ccncc1Cl
InChIInChI=1S/C10H16ClN3/c1-8(5-12)7-14(2)10-3-4-13-6-9(10)11/h3-4,6,8H,5,7,12H2,1-2H3
InChIKeyZCCJFTPKHKQMSH-UHFFFAOYSA-N
XLogP1.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
CID 79841040
2-[(3-chloro-4-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 71977838
3-[(3-chloro-4-pyridinyl)-methylamino]propanethioamide
CID 79840987
N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
CID 79841413
N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115198408
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylpyridin-4-amine
CID 79840601
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanethioamide
CID 79841085
3-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylpyridin-4-amine
CID 79840375
3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine
CID 133352465
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
3-[(3-chloro-4-pyridinyl)-methylamino]butanimidamide
CID 79840609
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine (CID 79840509) is N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine is CC(CN)CN(C)c1ccncc1Cl.
What is the InChIKey of N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is ZCCJFTPKHKQMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-8(5-12)7-14(2)10-3-4-13-6-9(10)11/h3-4,6,8H,5,7,12H2,1-2H3.
What are the key properties of N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 213.71 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79840509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).