N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine

C10H16ClN3 — CID 115366147

IUPACN'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNc1ccc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c1-10(2,6-12)7-14-9-4-3-8(11)5-13-9/h3-5H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyUEMQJTXRLJQDDT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.13
Rot. Bonds4

About N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine

N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 115366147) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID115366147
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNc1ccc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c1-10(2,6-12)7-14-9-4-3-8(11)5-13-9/h3-5H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyUEMQJTXRLJQDDT-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 79035520
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142088
N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
CID 107323387
N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142213
2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 115310079
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
5-chloro-N-(2-cyclopropylpropyl)pyridin-2-amine
CID 115658742
N-tert-butyl-2-[(5-chloro-2-pyridinyl)amino]acetamide
CID 79035029

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine (CID 115366147) is N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine is CC(C)(CN)CNc1ccc(Cl)cn1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is UEMQJTXRLJQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-10(2,6-12)7-14-9-4-3-8(11)5-13-9/h3-5H,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 213.71 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115366147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).