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

C12H21N — CID 83906411

IUPACN-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
SMILESC1CC2CCCC2C(NC2CC2)C1
InChIInChI=1S/C12H21N/c1-3-9-4-2-6-12(11(9)5-1)13-10-7-8-10/h9-13H,1-8H2
InChIKeyMEZONUKPWURMDV-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.71
Rot. Bonds2

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

N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine (PubChem CID 83906411) 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-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
PubChem CID83906411
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
SMILESC1CC2CCCC2C(NC2CC2)C1
InChIInChI=1S/C12H21N/c1-3-9-4-2-6-12(11(9)5-1)13-10-7-8-10/h9-13H,1-8H2
InChIKeyMEZONUKPWURMDV-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-(2-cycloundecylcyclopentyl)cycloundecanamine
CID 146492936
N-(2-cyclononylcyclopentyl)cycloundecanamine
CID 167283345
N-(2-cyclononylcyclopentyl)cyclododecanamine
CID 146530332
N-(2-cyclotridecylcycloheptyl)cyclotridecanamine
CID 156542642
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
2-cyclohexyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
CID 43432566
(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine
CID 131142277
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
N-(2-cyclopropylcyclobutyl)oxan-4-amine
CID 130616694
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
The IUPAC name of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine (CID 83906411) is N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine.
What is the SMILES notation for N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
The canonical SMILES for N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine is C1CC2CCCC2C(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
The InChIKey is MEZONUKPWURMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-9-4-2-6-12(11(9)5-1)13-10-7-8-10/h9-13H,1-8H2.
What are the key properties of N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-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-4-amine is sourced from PubChem (CID 83906411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).