5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine

C18H29N3 — CID 81250072

IUPAC5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine
SMILESCc1cc(N(C)C2CCCCC2C)c(CNC2CC2)cn1
InChIInChI=1S/C18H29N3/c1-13-6-4-5-7-17(13)21(3)18-10-14(2)19-11-15(18)12-20-16-8-9-16/h10-11,13,16-17,20H,4-9,12H2,1-3H3
InChIKeyYOQDPTNLGGDHPD-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.66
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine

5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine (PubChem CID 81250072) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine
PubChem CID81250072
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine
SMILESCc1cc(N(C)C2CCCCC2C)c(CNC2CC2)cn1
InChIInChI=1S/C18H29N3/c1-13-6-4-5-7-17(13)21(3)18-10-14(2)19-11-15(18)12-20-16-8-9-16/h10-11,13,16-17,20H,4-9,12H2,1-3H3
InChIKeyYOQDPTNLGGDHPD-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine (CID 81250072) is 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine is Cc1cc(N(C)C2CCCCC2C)c(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine?
The InChIKey is YOQDPTNLGGDHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13-6-4-5-7-17(13)21(3)18-10-14(2)19-11-15(18)12-20-16-8-9-16/h10-11,13,16-17,20H,4-9,12H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine?
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine has a molecular weight of 287.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine is sourced from PubChem (CID 81250072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).