(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine

C13H21N — CID 131142277

IUPAC(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine
SMILESC1CC(NC2CC2C2CC2)[C@@H]2C[C@@H]2C1
InChIInChI=1S/C13H21N/c1-2-9-6-10(9)12(3-1)14-13-7-11(13)8-4-5-8/h8-14H,1-7H2/t9-,10+,11?,12?,13?/m0/s1
InChIKeyIAWXVHSTKUMFPH-JTARRIQESA-N
MW191.32 g/mol
LogP2.56
Rot. Bonds3

About (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine

(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine (PubChem CID 131142277) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound Name(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine
PubChem CID131142277
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine
SMILESC1CC(NC2CC2C2CC2)[C@@H]2C[C@@H]2C1
InChIInChI=1S/C13H21N/c1-2-9-6-10(9)12(3-1)14-13-7-11(13)8-4-5-8/h8-14H,1-7H2/t9-,10+,11?,12?,13?/m0/s1
InChIKeyIAWXVHSTKUMFPH-JTARRIQESA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[3.1.0]hexanylamino)cyclopentane-1-carbonitrile
CID 130525427
N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine
CID 71129084
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
CID 83906411
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
N-(2-cyclohexylcyclopropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120915989
N-(2,3-dimethylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130659290
N-(2-cyclononylcyclopentyl)cyclododecanamine
CID 146530332
N-(2-cycloundecylcyclopentyl)cycloundecanamine
CID 146492936
N-(2-cyclononylcyclopentyl)cycloundecanamine
CID 167283345
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine
CID 130525548
N-(2,2,3,3-tetramethylcyclopropyl)bicyclo[3.1.0]hexan-2-amine
CID 130525471

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine?
The IUPAC name of (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine (CID 131142277) is (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine is C1CC(NC2CC2C2CC2)[C@@H]2C[C@@H]2C1.
What is the InChIKey of (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine?
The InChIKey is IAWXVHSTKUMFPH-JTARRIQESA-N. The full InChI is InChI=1S/C13H21N/c1-2-9-6-10(9)12(3-1)14-13-7-11(13)8-4-5-8/h8-14H,1-7H2/t9-,10+,11?,12?,13?/m0/s1.
What are the key properties of (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine?
(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 131142277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).