N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride

C16H33ClN2 — CID 120844767

IUPACN-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride
SMILESCCN(CC1CCCC(C)C1)C1CCCNCC1.Cl
InChIInChI=1S/C16H32N2.ClH/c1-3-18(16-8-5-10-17-11-9-16)13-15-7-4-6-14(2)12-15;/h14-17H,3-13H2,1-2H3;1H
InChIKeyJWOAWSDAEDNNHQ-UHFFFAOYSA-N
MW288.91 g/mol
LogP3.70
Rot. Bonds4

About N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride

N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride (PubChem CID 120844767) has the molecular formula C16H33ClN2 and a molecular weight of 288.91 g/mol. Its IUPAC name is N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride
PubChem CID120844767
Molecular FormulaC16H33ClN2
Molecular Weight288.91 g/mol
Exact Mass288.23
IUPAC NameN-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride
SMILESCCN(CC1CCCC(C)C1)C1CCCNCC1.Cl
InChIInChI=1S/C16H32N2.ClH/c1-3-18(16-8-5-10-17-11-9-16)13-15-7-4-6-14(2)12-15;/h14-17H,3-13H2,1-2H3;1H
InChIKeyJWOAWSDAEDNNHQ-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride
CID 120844769
N-(cyclopropylmethyl)-N-propylazepan-4-amine
CID 63902557
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
N-ethyl-N-[(2-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 106740869
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride?
The IUPAC name of N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride (CID 120844767) is N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride.
What is the SMILES notation for N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride?
The canonical SMILES for N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride is CCN(CC1CCCC(C)C1)C1CCCNCC1.Cl.
What is the InChIKey of N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride?
The InChIKey is JWOAWSDAEDNNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.ClH/c1-3-18(16-8-5-10-17-11-9-16)13-15-7-4-6-14(2)12-15;/h14-17H,3-13H2,1-2H3;1H.
What are the key properties of N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride?
N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride has a molecular weight of 288.91 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride is sourced from PubChem (CID 120844767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).