5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

C13H22ClN3 — CID 62285526

IUPAC5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1ncc(CN)cc1Cl)C(C)C
InChIInChI=1S/C13H22ClN3/c1-9(2)8-17(10(3)4)13-12(14)5-11(6-15)7-16-13/h5,7,9-10H,6,8,15H2,1-4H3
InChIKeyOVZLQYPYILRRCR-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.06
Rot. Bonds5

About 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 62285526) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID62285526
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1ncc(CN)cc1Cl)C(C)C
InChIInChI=1S/C13H22ClN3/c1-9(2)8-17(10(3)4)13-12(14)5-11(6-15)7-16-13/h5,7,9-10H,6,8,15H2,1-4H3
InChIKeyOVZLQYPYILRRCR-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62286857
5-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280194
5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665201
2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190605
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 55059331
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
CID 80630219
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
5-(aminomethyl)-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62286524
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (CID 62285526) is 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is CC(C)CN(c1ncc(CN)cc1Cl)C(C)C.
What is the InChIKey of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is OVZLQYPYILRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-9(2)8-17(10(3)4)13-12(14)5-11(6-15)7-16-13/h5,7,9-10H,6,8,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 62285526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).