N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine

C17H25N — CID 64752201

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCC2Cc3ccccc32)C1
InChIInChI=1S/C17H25N/c1-12-7-13(2)9-16(8-12)18-11-15-10-14-5-3-4-6-17(14)15/h3-6,12-13,15-16,18H,7-11H2,1-2H3
InChIKeyKRHRPFDSBDYRSU-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.74
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64752201) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64752201
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCC2Cc3ccccc32)C1
InChIInChI=1S/C17H25N/c1-12-7-13(2)9-16(8-12)18-11-15-10-14-5-3-4-6-17(14)15/h3-6,12-13,15-16,18H,7-11H2,1-2H3
InChIKeyKRHRPFDSBDYRSU-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 60816001
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
CID 64623153
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-methylazepan-4-amine
CID 65070385
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64734244
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 81337822
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,1-dioxothiolan-3-amine
CID 60816010
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
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-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine (CID 64752201) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NCC2Cc3ccccc32)C1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is KRHRPFDSBDYRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-7-13(2)9-16(8-12)18-11-15-10-14-5-3-4-6-17(14)15/h3-6,12-13,15-16,18H,7-11H2,1-2H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64752201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).