N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine

C18H36N2 — CID 65091371

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CCN(CC)CC2)CC1
InChIInChI=1S/C18H36N2/c1-3-6-16-7-5-8-18(10-9-16)19-15-17-11-13-20(4-2)14-12-17/h16-19H,3-15H2,1-2H3
InChIKeyIHSWOTAYYANWEA-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine

N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 65091371) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
PubChem CID65091371
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CCN(CC)CC2)CC1
InChIInChI=1S/C18H36N2/c1-3-6-16-7-5-8-18(10-9-16)19-15-17-11-13-20(4-2)14-12-17/h16-19H,3-15H2,1-2H3
InChIKeyIHSWOTAYYANWEA-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091119
N-(cyclopropylmethyl)-1-(4-propylcycloheptyl)piperidin-4-amine
CID 115306940
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091165
1-ethyl-N-(4-propylcyclohexyl)piperidin-4-amine
CID 60663750
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine
CID 103981902
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine (CID 65091371) is N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(NCC2CCN(CC)CC2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is IHSWOTAYYANWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-6-16-7-5-8-18(10-9-16)19-15-17-11-13-20(4-2)14-12-17/h16-19H,3-15H2,1-2H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).