N-(2-phenylcyclopropyl)oxepan-4-amine

C15H21NO — CID 65081970

IUPACN-(2-phenylcyclopropyl)oxepan-4-amine
SMILESc1ccc(C2CC2NC2CCCOCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-5-12(6-3-1)14-11-15(14)16-13-7-4-9-17-10-8-13/h1-3,5-6,13-16H,4,7-11H2
InChIKeyCJGBRELLNWRDSM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.70
Rot. Bonds3

About N-(2-phenylcyclopropyl)oxepan-4-amine

N-(2-phenylcyclopropyl)oxepan-4-amine (PubChem CID 65081970) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)oxepan-4-amine
PubChem CID65081970
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2-phenylcyclopropyl)oxepan-4-amine
SMILESc1ccc(C2CC2NC2CCCOCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-5-12(6-3-1)14-11-15(14)16-13-7-4-9-17-10-8-13/h1-3,5-6,13-16H,4,7-11H2
InChIKeyCJGBRELLNWRDSM-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895170
N-(2-phenylcyclohexyl)oxolan-3-amine
CID 80716893
cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 167856974
N-benzyloxepan-4-amine
CID 65076712
N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
CID 139384206
1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147506241
N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 167270259
N-cyclobutyloxepan-4-amine
CID 65079311
[(1R,2R)-2-(oxepan-4-ylamino)cyclopropyl]methanol
CID 130987505
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
N-cyclooctyloxepan-4-amine
CID 65076823

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)oxepan-4-amine?
The IUPAC name of N-(2-phenylcyclopropyl)oxepan-4-amine (CID 65081970) is N-(2-phenylcyclopropyl)oxepan-4-amine.
What is the SMILES notation for N-(2-phenylcyclopropyl)oxepan-4-amine?
The canonical SMILES for N-(2-phenylcyclopropyl)oxepan-4-amine is c1ccc(C2CC2NC2CCCOCC2)cc1.
What is the InChIKey of N-(2-phenylcyclopropyl)oxepan-4-amine?
The InChIKey is CJGBRELLNWRDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-5-12(6-3-1)14-11-15(14)16-13-7-4-9-17-10-8-13/h1-3,5-6,13-16H,4,7-11H2.
What are the key properties of N-(2-phenylcyclopropyl)oxepan-4-amine?
N-(2-phenylcyclopropyl)oxepan-4-amine has a molecular weight of 231.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)oxepan-4-amine is sourced from PubChem (CID 65081970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).