N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine

C18H31N3 — CID 79062325

IUPACN,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine
SMILESCCCNC(c1cccnc1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-5-12-20-17(16-7-6-13-19-14-16)18(21(3)4)10-8-15(2)9-11-18/h6-7,13-15,17,20H,5,8-12H2,1-4H3
InChIKeyRPHKIAGSPXTPPQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.63
Rot. Bonds6

About N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine (PubChem CID 79062325) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine
PubChem CID79062325
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine
SMILESCCCNC(c1cccnc1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-5-12-20-17(16-7-6-13-19-14-16)18(21(3)4)10-8-15(2)9-11-18/h6-7,13-15,17,20H,5,8-12H2,1-4H3
InChIKeyRPHKIAGSPXTPPQ-UHFFFAOYSA-N
XLogP3.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol
CID 79074201
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
CID 79074735
1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 104736535
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
1-[(4-bromothiophen-3-yl)-(propylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79590386
N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine
CID 79063598
N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 116766797
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine (CID 79062325) is N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine is CCCNC(c1cccnc1)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is RPHKIAGSPXTPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-12-20-17(16-7-6-13-19-14-16)18(21(3)4)10-8-15(2)9-11-18/h6-7,13-15,17,20H,5,8-12H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79062325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).