2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine

C17H33NO — CID 114340804

IUPAC2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1OC1CCC(C)(C)CC1
InChIInChI=1S/C17H33NO/c1-4-18-15-8-6-5-7-9-16(15)19-14-10-12-17(2,3)13-11-14/h14-16,18H,4-13H2,1-3H3
InChIKeyHXEJPVWOCIZTLL-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine

2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine (PubChem CID 114340804) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
PubChem CID114340804
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1OC1CCC(C)(C)CC1
InChIInChI=1S/C17H33NO/c1-4-18-15-8-6-5-7-9-16(15)19-14-10-12-17(2,3)13-11-14/h14-16,18H,4-13H2,1-3H3
InChIKeyHXEJPVWOCIZTLL-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-methylcyclohexyl)oxycyclooctan-1-amine
CID 63474385
2-(2,6-dimethyloxan-4-yl)oxy-N-ethylcyclohexan-1-amine
CID 113369140
N-ethyl-2-(oxolan-3-yloxy)cyclohexan-1-amine
CID 63559041
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
CID 114775186
N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64746326
2-(4,4-dimethylcyclohexyl)oxycyclohexan-1-amine
CID 114340866
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66321323
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
3-cyclohexyloxy-2-ethoxy-N-ethylcyclobutan-1-amine
CID 113439990

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine (CID 114340804) is 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1OC1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine?
The InChIKey is HXEJPVWOCIZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-18-15-8-6-5-7-9-16(15)19-14-10-12-17(2,3)13-11-14/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine?
2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 114340804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).