7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine

C15H23NO — CID 122412891

IUPAC7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine
SMILESCc1cccc(C2(N)CCCC(C)(C)OC2)c1
InChIInChI=1S/C15H23NO/c1-12-6-4-7-13(10-12)15(16)9-5-8-14(2,3)17-11-15/h4,6-7,10H,5,8-9,11,16H2,1-3H3
InChIKeyQVMJRPUTHPJZEJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.13
Rot. Bonds1

About 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine

7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine (PubChem CID 122412891) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine.

Molecular Properties

Compound Name7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine
PubChem CID122412891
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine
SMILESCc1cccc(C2(N)CCCC(C)(C)OC2)c1
InChIInChI=1S/C15H23NO/c1-12-6-4-7-13(10-12)15(16)9-5-8-14(2,3)17-11-15/h4,6-7,10H,5,8-9,11,16H2,1-3H3
InChIKeyQVMJRPUTHPJZEJ-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
ethane;1-(3-methylphenyl)cyclopropan-1-amine;molecular hydrogen;propane
CID 144873819
3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine
CID 82405285
3,5-dimethyl-1-(3-methylphenyl)cyclohexan-1-amine
CID 64751059
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
3-(1-aminocyclopentyl)aniline
CID 117047301
2,2,6-trimethyl-6-(3-methylphenyl)piperidine
CID 117272320
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
3-(1-aminocyclobutyl)phenol
CID 82596466
3-(5-methyl-3-pyridinyl)oxan-3-amine
CID 115373854
3-(1-aminocyclobutyl)-N,N-dimethylaniline
CID 82603640

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine?
The IUPAC name of 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine (CID 122412891) is 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine.
What is the SMILES notation for 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine?
The canonical SMILES for 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine is Cc1cccc(C2(N)CCCC(C)(C)OC2)c1.
What is the InChIKey of 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine?
The InChIKey is QVMJRPUTHPJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-4-7-13(10-12)15(16)9-5-8-14(2,3)17-11-15/h4,6-7,10H,5,8-9,11,16H2,1-3H3.
What are the key properties of 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine?
7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine is sourced from PubChem (CID 122412891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).