N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine

C18H30N2O — CID 64730619

IUPACN-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(OC2CC(C)CC(C)C2)ccn1
InChIInChI=1S/C18H30N2O/c1-13(2)11-19-12-16-10-17(5-6-20-16)21-18-8-14(3)7-15(4)9-18/h5-6,10,13-15,18-19H,7-9,11-12H2,1-4H3
InChIKeyATHQCZHRPGKSDK-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.03
Rot. Bonds6

About N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 64730619) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID64730619
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(OC2CC(C)CC(C)C2)ccn1
InChIInChI=1S/C18H30N2O/c1-13(2)11-19-12-16-10-17(5-6-20-16)21-18-8-14(3)7-15(4)9-18/h5-6,10,13-15,18-19H,7-9,11-12H2,1-4H3
InChIKeyATHQCZHRPGKSDK-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 64730619) is N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(OC2CC(C)CC(C)C2)ccn1.
What is the InChIKey of N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ATHQCZHRPGKSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)11-19-12-16-10-17(5-6-20-16)21-18-8-14(3)7-15(4)9-18/h5-6,10,13-15,18-19H,7-9,11-12H2,1-4H3.
What are the key properties of N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64730619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).