N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine

C18H30N2O — CID 116766797

IUPACN-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-11-20-17(13-16-6-5-12-19-14-16)18(21-3)9-7-15(2)8-10-18/h5-6,12,14-15,17,20H,4,7-11,13H2,1-3H3
InChIKeyDHJPWFQLOWLINX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.59
Rot. Bonds7

About N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 116766797) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID116766797
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-11-20-17(13-16-6-5-12-19-14-16)18(21-3)9-7-15(2)8-10-18/h5-6,12,14-15,17,20H,4,7-11,13H2,1-3H3
InChIKeyDHJPWFQLOWLINX-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116766787
N-[1-(2-methyloxolan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736619
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
1-(1-methoxycyclobutyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 103559792
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine
CID 79062325
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528
1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 104736535
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 116764064
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 116766797) is N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)C1(OC)CCC(C)CC1.
What is the InChIKey of N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is DHJPWFQLOWLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-20-17(13-16-6-5-12-19-14-16)18(21-3)9-7-15(2)8-10-18/h5-6,12,14-15,17,20H,4,7-11,13H2,1-3H3.
What are the key properties of N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 116766797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).