4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine

C14H23N3 — CID 62471042

IUPAC4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine
SMILESCC1CCCC(N(C)Cc2ccnc(N)c2)C1
InChIInChI=1S/C14H23N3/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-16-14(15)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H2,15,16)
InChIKeyKSLQWCRDNLXOKD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds3

About 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine

4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine (PubChem CID 62471042) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine
PubChem CID62471042
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine
SMILESCC1CCCC(N(C)Cc2ccnc(N)c2)C1
InChIInChI=1S/C14H23N3/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-16-14(15)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H2,15,16)
InChIKeyKSLQWCRDNLXOKD-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine (CID 62471042) is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine is CC1CCCC(N(C)Cc2ccnc(N)c2)C1.
What is the InChIKey of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine?
The InChIKey is KSLQWCRDNLXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-16-14(15)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H2,15,16).
What are the key properties of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine?
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62471042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).