3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine

C10H19N — CID 87633849

IUPAC3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine
SMILESCC1CCC2C(C1N)C2(C)C
InChIInChI=1S/C10H19N/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9H,4-5,11H2,1-3H3
InChIKeyARKNFRYRSKJWBI-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.02
Rot. Bonds

About 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine

3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine (PubChem CID 87633849) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound Name3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine
PubChem CID87633849
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine
SMILESCC1CCC2C(C1N)C2(C)C
InChIInChI=1S/C10H19N/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9H,4-5,11H2,1-3H3
InChIKeyARKNFRYRSKJWBI-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1aR,4aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 171038638
potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide
CID 135043778
methoxy-bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]borane
CID 11141614
(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine
CID 125452174
(1aS,4R,4aS,7S,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 162940151
(1aR,4R,4aR,7aS,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 15775267
3-(3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl)but-2-enenitrile
CID 54163825
2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
(1R,2R,5R)-2-fluoro-5-methylcyclopentan-1-amine
CID 125452095
[(1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-yl]-methylazanide
CID 163135876
N-(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)formamide
CID 23425053
(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
CID 163060708

Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine?
The IUPAC name of 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine (CID 87633849) is 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine is CC1CCC2C(C1N)C2(C)C.
What is the InChIKey of 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine?
The InChIKey is ARKNFRYRSKJWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9H,4-5,11H2,1-3H3.
What are the key properties of 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine?
3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 87633849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).