N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine

C13H17N — CID 66418322

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
SMILESCC1CC1NCC1Cc2ccccc21
InChIInChI=1S/C13H17N/c1-9-6-13(9)14-8-11-7-10-4-2-3-5-12(10)11/h2-5,9,11,13-14H,6-8H2,1H3
InChIKeyDRWYNBDXBGRNMM-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.32
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine (PubChem CID 66418322) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
PubChem CID66418322
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
SMILESCC1CC1NCC1Cc2ccccc21
InChIInChI=1S/C13H17N/c1-9-6-13(9)14-8-11-7-10-4-2-3-5-12(10)11/h2-5,9,11,13-14H,6-8H2,1H3
InChIKeyDRWYNBDXBGRNMM-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.32
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)-3,5-dimethylcyclohexan-1-amine
CID 64752201
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 66396568
trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 102733675
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63994320
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772601
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
CID 66397152
(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81337819
(2R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propan-2-ol
CID 106932270
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
CID 64623153
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2-difluoroethanamine
CID 66396572

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine (CID 66418322) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine is CC1CC1NCC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine?
The InChIKey is DRWYNBDXBGRNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-6-13(9)14-8-11-7-10-4-2-3-5-12(10)11/h2-5,9,11,13-14H,6-8H2,1H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.32, 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)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 66418322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).