N-(3-methylcyclobutyl)oxepan-4-amine

C11H21NO — CID 115892454

IUPACN-(3-methylcyclobutyl)oxepan-4-amine
SMILESCC1CC(NC2CCCOCC2)C1
InChIInChI=1S/C11H21NO/c1-9-7-11(8-9)12-10-3-2-5-13-6-4-10/h9-12H,2-8H2,1H3
InChIKeyCWUSJCWTGPFWBO-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds2

About N-(3-methylcyclobutyl)oxepan-4-amine

N-(3-methylcyclobutyl)oxepan-4-amine (PubChem CID 115892454) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)oxepan-4-amine
PubChem CID115892454
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3-methylcyclobutyl)oxepan-4-amine
SMILESCC1CC(NC2CCCOCC2)C1
InChIInChI=1S/C11H21NO/c1-9-7-11(8-9)12-10-3-2-5-13-6-4-10/h9-12H,2-8H2,1H3
InChIKeyCWUSJCWTGPFWBO-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyloxepan-4-amine
CID 65079311
N-cyclooctyloxepan-4-amine
CID 65076823
N-(3-methylcyclobutyl)cyclopentanamine
CID 115671682
N-cyclopentyloxan-4-amine
CID 28694035
N-cyclododecyloxan-4-amine
CID 43609748
N-cyclobutyloxan-4-amine;hydrochloride
CID 155970514
N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride
CID 171397069
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
N-(3,4-dimethylcyclohexyl)oxan-4-amine
CID 64732595
1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine
CID 115677941
cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol
CID 93277667
N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine
CID 65079209

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)oxepan-4-amine?
The IUPAC name of N-(3-methylcyclobutyl)oxepan-4-amine (CID 115892454) is N-(3-methylcyclobutyl)oxepan-4-amine.
What is the SMILES notation for N-(3-methylcyclobutyl)oxepan-4-amine?
The canonical SMILES for N-(3-methylcyclobutyl)oxepan-4-amine is CC1CC(NC2CCCOCC2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)oxepan-4-amine?
The InChIKey is CWUSJCWTGPFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-7-11(8-9)12-10-3-2-5-13-6-4-10/h9-12H,2-8H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)oxepan-4-amine?
N-(3-methylcyclobutyl)oxepan-4-amine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)oxepan-4-amine is sourced from PubChem (CID 115892454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).