N-(2,2,3-trimethylbutyl)oxepan-4-amine

C13H27NO — CID 102613607

IUPACN-(2,2,3-trimethylbutyl)oxepan-4-amine
SMILESCC(C)C(C)(C)CNC1CCCOCC1
InChIInChI=1S/C13H27NO/c1-11(2)13(3,4)10-14-12-6-5-8-15-9-7-12/h11-12,14H,5-10H2,1-4H3
InChIKeyVGLLLWSKIXYAOR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About N-(2,2,3-trimethylbutyl)oxepan-4-amine

N-(2,2,3-trimethylbutyl)oxepan-4-amine (PubChem CID 102613607) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2,2,3-trimethylbutyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2,2,3-trimethylbutyl)oxepan-4-amine
PubChem CID102613607
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2,2,3-trimethylbutyl)oxepan-4-amine
SMILESCC(C)C(C)(C)CNC1CCCOCC1
InChIInChI=1S/C13H27NO/c1-11(2)13(3,4)10-14-12-6-5-8-15-9-7-12/h11-12,14H,5-10H2,1-4H3
InChIKeyVGLLLWSKIXYAOR-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
CID 115664541
4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile
CID 115150321
3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
CID 114099437
N-[(E)-pent-3-enyl]oxepan-4-amine
CID 115890191
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
1-(cyclohexylamino)-2,2,4-trimethylpentan-3-ol
CID 109380064
N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
CID 65079654
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339
N-cyclooctyloxepan-4-amine
CID 65076823

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3-trimethylbutyl)oxepan-4-amine?
The IUPAC name of N-(2,2,3-trimethylbutyl)oxepan-4-amine (CID 102613607) is N-(2,2,3-trimethylbutyl)oxepan-4-amine.
What is the SMILES notation for N-(2,2,3-trimethylbutyl)oxepan-4-amine?
The canonical SMILES for N-(2,2,3-trimethylbutyl)oxepan-4-amine is CC(C)C(C)(C)CNC1CCCOCC1.
What is the InChIKey of N-(2,2,3-trimethylbutyl)oxepan-4-amine?
The InChIKey is VGLLLWSKIXYAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)13(3,4)10-14-12-6-5-8-15-9-7-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(2,2,3-trimethylbutyl)oxepan-4-amine?
N-(2,2,3-trimethylbutyl)oxepan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3-trimethylbutyl)oxepan-4-amine is sourced from PubChem (CID 102613607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).