N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine

C14H27NO — CID 65079209

IUPACN-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine
SMILESCCC1CCC(NC2CCCOCC2)C1C
InChIInChI=1S/C14H27NO/c1-3-12-6-7-14(11(12)2)15-13-5-4-9-16-10-8-13/h11-15H,3-10H2,1-2H3
InChIKeyMWKQAAKXANMSOQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine

N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine (PubChem CID 65079209) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine
PubChem CID65079209
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine
SMILESCCC1CCC(NC2CCCOCC2)C1C
InChIInChI=1S/C14H27NO/c1-3-12-6-7-14(11(12)2)15-13-5-4-9-16-10-8-13/h11-15H,3-10H2,1-2H3
InChIKeyMWKQAAKXANMSOQ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257
N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 64922154
1-ethyl-N-(3-ethyl-2-methylcyclopentyl)piperidin-4-amine
CID 64922128
2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine
CID 64920561
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150
N-cyclobutyloxepan-4-amine
CID 65079311
[(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol
CID 130987505
N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine
CID 64921140
3-N-(3-ethyl-2-methylcyclopentyl)cyclopentane-1,3-diamine
CID 79462176
3-ethyl-2-methyl-N-(3-propan-2-ylcyclobutyl)cyclopentan-1-amine
CID 103561998
N-cyclooctyloxepan-4-amine
CID 65076823
N-(3-methylcyclobutyl)oxepan-4-amine
CID 115892454

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine (CID 65079209) is N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine is CCC1CCC(NC2CCCOCC2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine?
The InChIKey is MWKQAAKXANMSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-12-6-7-14(11(12)2)15-13-5-4-9-16-10-8-13/h11-15H,3-10H2,1-2H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine?
N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine is sourced from PubChem (CID 65079209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).