6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine

C16H27N3 — CID 81132129

IUPAC6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H27N3/c1-12(2)10-16(8-4-5-9-16)11-18-15-14(17)7-6-13(3)19-15/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeyDTAUXXPPTQKZMQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds5

About 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine

6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine (PubChem CID 81132129) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
PubChem CID81132129
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H27N3/c1-12(2)10-16(8-4-5-9-16)11-18-15-14(17)7-6-13(3)19-15/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeyDTAUXXPPTQKZMQ-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 115320957
6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 81131753
1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
CID 103078708
6-hydrazinyl-2,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidin-4-amine
CID 80928736
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 80854553
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
CID 80854484
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
CID 103518322
5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine
CID 134697657
1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151105
[1-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 103965461
6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
CID 81132188

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine (CID 81132129) is 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCC2(CC(C)C)CCCC2)n1.
What is the InChIKey of 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
The InChIKey is DTAUXXPPTQKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)10-16(8-4-5-9-16)11-18-15-14(17)7-6-13(3)19-15/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 81132129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).