N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine

C12H21N — CID 130525526

IUPACN-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine
SMILESCC1CC1CNC1CCCC2CC21
InChIInChI=1S/C12H21N/c1-8-5-10(8)7-13-12-4-2-3-9-6-11(9)12/h8-13H,2-7H2,1H3
InChIKeyVSDUKYSPUSMRRV-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.42
Rot. Bonds3

About N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine

N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine (PubChem CID 130525526) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine
PubChem CID130525526
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine
SMILESCC1CC1CNC1CCCC2CC21
InChIInChI=1S/C12H21N/c1-8-5-10(8)7-13-12-4-2-3-9-6-11(9)12/h8-13H,2-7H2,1H3
InChIKeyVSDUKYSPUSMRRV-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-[(2-methylcyclopropyl)methylamino]cyclopentan-1-ol
CID 102734052
2-cyclohexyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107416929
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile
CID 130525551
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81033733
trans-(1R,2R)-2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107417907
2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107418182
N-[(2-methylcyclopentyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 107416966
(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine
CID 131142277

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine (CID 130525526) is N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine is CC1CC1CNC1CCCC2CC21.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine?
The InChIKey is VSDUKYSPUSMRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8-5-10(8)7-13-12-4-2-3-9-6-11(9)12/h8-13H,2-7H2,1H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine?
N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]bicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 130525526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).