N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine

C12H21N — CID 83906410

IUPACN-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
SMILESC1CC2CCC(NC3CC3)CC2C1
InChIInChI=1S/C12H21N/c1-2-9-4-5-12(8-10(9)3-1)13-11-6-7-11/h9-13H,1-8H2
InChIKeyJAGBHNDGJKYBOT-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.71
Rot. Bonds2

About N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine

N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine (PubChem CID 83906410) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
PubChem CID83906410
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
SMILESC1CC2CCC(NC3CC3)CC2C1
InChIInChI=1S/C12H21N/c1-2-9-4-5-12(8-10(9)3-1)13-11-6-7-11/h9-13H,1-8H2
InChIKeyJAGBHNDGJKYBOT-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dicyclopropylcyclohexan-1-amine
CID 64594632
3-cyclopropyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 115655106
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64623583
N,4-dicyclohexylcyclohexan-1-amine
CID 70368908
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428
N-cyclohexylbicyclo[3.2.0]heptan-3-amine
CID 170206740
N-(3-cyclopropylcyclohexyl)oxan-3-amine
CID 64623380
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43222789
N-(3-cyclopropylcyclohexyl)adamantan-2-amine
CID 64594858
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hydroxylamine
CID 82684932

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The IUPAC name of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine (CID 83906410) is N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine.
What is the SMILES notation for N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The canonical SMILES for N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine is C1CC2CCC(NC3CC3)CC2C1.
What is the InChIKey of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The InChIKey is JAGBHNDGJKYBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-9-4-5-12(8-10(9)3-1)13-11-6-7-11/h9-13H,1-8H2.
What are the key properties of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine has a molecular weight of 179.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine is sourced from PubChem (CID 83906410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).