N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride

C16H33ClN2 — CID 120844769

IUPACN-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride
SMILESCCN(CCC1CCCCC1)C1CCCNCC1.Cl
InChIInChI=1S/C16H32N2.ClH/c1-2-18(16-9-6-12-17-13-10-16)14-11-15-7-4-3-5-8-15;/h15-17H,2-14H2,1H3;1H
InChIKeyMLLLFKNRMYHONL-UHFFFAOYSA-N
MW288.91 g/mol
LogP3.84
Rot. Bonds5

About N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride

N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride (PubChem CID 120844769) has the molecular formula C16H33ClN2 and a molecular weight of 288.91 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride
PubChem CID120844769
Molecular FormulaC16H33ClN2
Molecular Weight288.91 g/mol
Exact Mass288.23
IUPAC NameN-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride
SMILESCCN(CCC1CCCCC1)C1CCCNCC1.Cl
InChIInChI=1S/C16H32N2.ClH/c1-2-18(16-9-6-12-17-13-10-16)14-11-15-7-4-3-5-8-15;/h15-17H,2-14H2,1H3;1H
InChIKeyMLLLFKNRMYHONL-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.91
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride
CID 120844767
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813
2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
CID 56831592
N-(cyclopropylmethyl)-N-propylazepan-4-amine
CID 63902557
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114191604
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine
CID 79614979
2-[2-cyclopentylethyl(piperidin-4-yl)amino]acetamide
CID 114191603
N-(2-cyclopropylethyl)-N-ethylazetidin-3-amine
CID 66181540
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N,N-diethylcycloundecanamine
CID 163828609
1-[ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride?
The IUPAC name of N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride (CID 120844769) is N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride.
What is the SMILES notation for N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride?
The canonical SMILES for N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride is CCN(CCC1CCCCC1)C1CCCNCC1.Cl.
What is the InChIKey of N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride?
The InChIKey is MLLLFKNRMYHONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.ClH/c1-2-18(16-9-6-12-17-13-10-16)14-11-15-7-4-3-5-8-15;/h15-17H,2-14H2,1H3;1H.
What are the key properties of N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride?
N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride has a molecular weight of 288.91 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride is sourced from PubChem (CID 120844769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).