5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine

C16H27N3 — CID 104535326

IUPAC5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
SMILESCNc1cncc(N(CCC(C)C)C2CCCC2)c1
InChIInChI=1S/C16H27N3/c1-13(2)8-9-19(15-6-4-5-7-15)16-10-14(17-3)11-18-12-16/h10-13,15,17H,4-9H2,1-3H3
InChIKeySHKGUBDTSIDDHO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.92
Rot. Bonds6

About 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine

5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine (PubChem CID 104535326) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
PubChem CID104535326
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
SMILESCNc1cncc(N(CCC(C)C)C2CCCC2)c1
InChIInChI=1S/C16H27N3/c1-13(2)8-9-19(15-6-4-5-7-15)16-10-14(17-3)11-18-12-16/h10-13,15,17H,4-9H2,1-3H3
InChIKeySHKGUBDTSIDDHO-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535325
3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol
CID 102875578
5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
CID 104533791
2-[cyclopropyl-[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104533735
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine
CID 81247339
(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
CID 103938891
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 107084638
2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80838977
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine (CID 104535326) is 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine is CNc1cncc(N(CCC(C)C)C2CCCC2)c1.
What is the InChIKey of 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
The InChIKey is SHKGUBDTSIDDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)8-9-19(15-6-4-5-7-15)16-10-14(17-3)11-18-12-16/h10-13,15,17H,4-9H2,1-3H3.
What are the key properties of 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine is sourced from PubChem (CID 104535326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).