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

C18H31N3 — CID 81250071

IUPACN,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)C2CCCCC2C)c(CNC(C)C)cn1
InChIInChI=1S/C18H31N3/c1-13(2)19-11-16-12-20-15(4)10-18(16)21(5)17-9-7-6-8-14(17)3/h10,12-14,17,19H,6-9,11H2,1-5H3
InChIKeyFAFCHPWXPOYCBA-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.90
Rot. Bonds5

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

N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81250071) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81250071
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)C2CCCCC2C)c(CNC(C)C)cn1
InChIInChI=1S/C18H31N3/c1-13(2)19-11-16-12-20-15(4)10-18(16)21(5)17-9-7-6-8-14(17)3/h10,12-14,17,19H,6-9,11H2,1-5H3
InChIKeyFAFCHPWXPOYCBA-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81250071) is N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is Cc1cc(N(C)C2CCCCC2C)c(CNC(C)C)cn1.
What is the InChIKey of N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is FAFCHPWXPOYCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)19-11-16-12-20-15(4)10-18(16)21(5)17-9-7-6-8-14(17)3/h10,12-14,17,19H,6-9,11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81250071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).