4,5-dimethylbicyclo[2.2.0]hexan-2-amine

C8H15N — CID 163656720

IUPAC4,5-dimethylbicyclo[2.2.0]hexan-2-amine
SMILESCC1CC2C(N)CC12C
InChIInChI=1S/C8H15N/c1-5-3-6-7(9)4-8(5,6)2/h5-7H,3-4,9H2,1-2H3
InChIKeyIQVSBRHHLKIQMF-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.38
Rot. Bonds

About 4,5-dimethylbicyclo[2.2.0]hexan-2-amine

4,5-dimethylbicyclo[2.2.0]hexan-2-amine (PubChem CID 163656720) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 4,5-dimethylbicyclo[2.2.0]hexan-2-amine.

Molecular Properties

Compound Name4,5-dimethylbicyclo[2.2.0]hexan-2-amine
PubChem CID163656720
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name4,5-dimethylbicyclo[2.2.0]hexan-2-amine
SMILESCC1CC2C(N)CC12C
InChIInChI=1S/C8H15N/c1-5-3-6-7(9)4-8(5,6)2/h5-7H,3-4,9H2,1-2H3
InChIKeyIQVSBRHHLKIQMF-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-amine
CID 639769
3,4,4-Trimethylcyclohexan-1-amine hydrochloride
CID 138991031
(4,5-Dimethyl-2-bicyclo[2.2.0]hexanyl)azanium
CID 163656719
(1S-(1alpha,2beta,5alpha))-6,6-Dimethylbicyclo(3.1.1)heptan-2-amine
CID 6454694
(1S)-1-(cuban-1-yl)ethan-1-amine
CID 146155306
(1S,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-amine
CID 101530280
6,6-Dimethylbicyclo[3.1.1]heptan-2-amine
CID 13215088
1,4-Dimethylbicyclo[2.2.0]hexan-2-amine
CID 21027897
3,4-Dimethyl-4-(3-methylbutyl)cyclohexan-1-amine
CID 57941059
1-Methylbicyclo[2.2.0]hexan-2-amine
CID 67561125
3,4,4-Trimethylcyclohexan-1-amine
CID 67819630
trans-(1S,3S)-3,4,4-trimethylcyclohexan-1-amine
CID 68080417

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylbicyclo[2.2.0]hexan-2-amine?
The IUPAC name of 4,5-dimethylbicyclo[2.2.0]hexan-2-amine (CID 163656720) is 4,5-dimethylbicyclo[2.2.0]hexan-2-amine.
What is the SMILES notation for 4,5-dimethylbicyclo[2.2.0]hexan-2-amine?
The canonical SMILES for 4,5-dimethylbicyclo[2.2.0]hexan-2-amine is CC1CC2C(N)CC12C.
What is the InChIKey of 4,5-dimethylbicyclo[2.2.0]hexan-2-amine?
The InChIKey is IQVSBRHHLKIQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-3-6-7(9)4-8(5,6)2/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 4,5-dimethylbicyclo[2.2.0]hexan-2-amine?
4,5-dimethylbicyclo[2.2.0]hexan-2-amine has a molecular weight of 125.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylbicyclo[2.2.0]hexan-2-amine is sourced from PubChem (CID 163656720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).