N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine

C18H30N2 — CID 65425134

IUPACN-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCC(CCC)CC1
InChIInChI=1S/C18H30N2/c1-3-6-15-8-10-16(11-9-15)18(20-12-4-2)17-7-5-13-19-14-17/h5,7,13-16,18,20H,3-4,6,8-12H2,1-2H3
InChIKeyBJUPKECERFMCAJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.73
Rot. Bonds7

About N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine

N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 65425134) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID65425134
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCC(CCC)CC1
InChIInChI=1S/C18H30N2/c1-3-6-15-8-10-16(11-9-15)18(20-12-4-2)17-7-5-13-19-14-17/h5,7,13-16,18,20H,3-4,6,8-12H2,1-2H3
InChIKeyBJUPKECERFMCAJ-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736387
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433
N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
CID 65425524
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine (CID 65425134) is N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)C1CCC(CCC)CC1.
What is the InChIKey of N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is BJUPKECERFMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-6-15-8-10-16(11-9-15)18(20-12-4-2)17-7-5-13-19-14-17/h5,7,13-16,18,20H,3-4,6,8-12H2,1-2H3.
What are the key properties of N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 65425134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).