N-benzyloxepan-4-amine

C13H19NO — CID 65076712

IUPACN-benzyloxepan-4-amine
SMILESc1ccc(CNC2CCCOCC2)cc1
InChIInChI=1S/C13H19NO/c1-2-5-12(6-3-1)11-14-13-7-4-9-15-10-8-13/h1-3,5-6,13-14H,4,7-11H2
InChIKeyVNETVHACWLPDEI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.35
Rot. Bonds3

About N-benzyloxepan-4-amine

N-benzyloxepan-4-amine (PubChem CID 65076712) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyloxepan-4-amine.

Molecular Properties

Compound NameN-benzyloxepan-4-amine
PubChem CID65076712
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyloxepan-4-amine
SMILESc1ccc(CNC2CCCOCC2)cc1
InChIInChI=1S/C13H19NO/c1-2-5-12(6-3-1)11-14-13-7-4-9-15-10-8-13/h1-3,5-6,13-14H,4,7-11H2
InChIKeyVNETVHACWLPDEI-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]oxepan-4-amine
CID 65081407
benzene;N-benzylcyclohexanamine
CID 142622843
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312
4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
CID 70952466
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
4-[(cyclohexylamino)methyl]-N-phenylaniline
CID 69114747
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
CID 65081954

Frequently Asked Questions

What is the IUPAC name of N-benzyloxepan-4-amine?
The IUPAC name of N-benzyloxepan-4-amine (CID 65076712) is N-benzyloxepan-4-amine.
What is the SMILES notation for N-benzyloxepan-4-amine?
The canonical SMILES for N-benzyloxepan-4-amine is c1ccc(CNC2CCCOCC2)cc1.
What is the InChIKey of N-benzyloxepan-4-amine?
The InChIKey is VNETVHACWLPDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-5-12(6-3-1)11-14-13-7-4-9-15-10-8-13/h1-3,5-6,13-14H,4,7-11H2.
What are the key properties of N-benzyloxepan-4-amine?
N-benzyloxepan-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxepan-4-amine is sourced from PubChem (CID 65076712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).