N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine

C17H34N2 — CID 79828790

IUPACN-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
SMILESCCNC1C(N2CCCC(C)CC2)CCCC1(C)C
InChIInChI=1S/C17H34N2/c1-5-18-16-15(9-6-11-17(16,3)4)19-12-7-8-14(2)10-13-19/h14-16,18H,5-13H2,1-4H3
InChIKeyZZRXZWHICYCFPZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds3

About N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine

N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine (PubChem CID 79828790) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
PubChem CID79828790
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
SMILESCCNC1C(N2CCCC(C)CC2)CCCC1(C)C
InChIInChI=1S/C17H34N2/c1-5-18-16-15(9-6-11-17(16,3)4)19-12-7-8-14(2)10-13-19/h14-16,18H,5-13H2,1-4H3
InChIKeyZZRXZWHICYCFPZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
CID 79859927
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 103532526
N-ethyl-2,2-dimethyl-5-(4-propylpiperidin-1-yl)cyclopentan-1-amine
CID 79860145
1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 79835828
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863853
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79927085
5-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79859986
2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 79835810
N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 104689520
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine (CID 79828790) is N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine is CCNC1C(N2CCCC(C)CC2)CCCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine?
The InChIKey is ZZRXZWHICYCFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-18-16-15(9-6-11-17(16,3)4)19-12-7-8-14(2)10-13-19/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine?
N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79828790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).