N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine

C19H38N2 — CID 64750791

IUPACN-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1N1CCCC(C(C)C)CC1
InChIInChI=1S/C19H38N2/c1-6-20-18-13-15(4)12-16(5)19(18)21-10-7-8-17(9-11-21)14(2)3/h14-20H,6-13H2,1-5H3
InChIKeyPLNAHSJGMZMAMF-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.16
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine (PubChem CID 64750791) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
PubChem CID64750791
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1N1CCCC(C(C)C)CC1
InChIInChI=1S/C19H38N2/c1-6-20-18-13-15(4)12-16(5)19(18)21-10-7-8-17(9-11-21)14(2)3/h14-20H,6-13H2,1-5H3
InChIKeyPLNAHSJGMZMAMF-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-methoxypiperidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64722404
2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751767
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017
N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 113417248
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64725027
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
CID 79859927
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
CID 80561615
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 79938671
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine (CID 64750791) is N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine is CCNC1CC(C)CC(C)C1N1CCCC(C(C)C)CC1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
The InChIKey is PLNAHSJGMZMAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-20-18-13-15(4)12-16(5)19(18)21-10-7-8-17(9-11-21)14(2)3/h14-20H,6-13H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 64750791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).