N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine

C15H28N2 — CID 82750623

IUPACN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine
SMILESC1CCC(NCCN2CCC3CCCCC32)C1
InChIInChI=1S/C15H28N2/c1-4-8-15-13(5-1)9-11-17(15)12-10-16-14-6-2-3-7-14/h13-16H,1-12H2
InChIKeyRTSGNGBGZJXHHP-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine

N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine (PubChem CID 82750623) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine
PubChem CID82750623
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine
SMILESC1CCC(NCCN2CCC3CCCCC32)C1
InChIInChI=1S/C15H28N2/c1-4-8-15-13(5-1)9-11-17(15)12-10-16-14-6-2-3-7-14/h13-16H,1-12H2
InChIKeyRTSGNGBGZJXHHP-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]aniline
CID 82750298
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 63503409
1-(3-bromopropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749789
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 82752119
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylethanamine
CID 65320984
4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
CID 128917741
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]propan-1-amine
CID 61387310
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-2-bromoaniline
CID 82752272
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 82752403
N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
CID 114221239

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine (CID 82750623) is N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine is C1CCC(NCCN2CCC3CCCCC32)C1.
What is the InChIKey of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine?
The InChIKey is RTSGNGBGZJXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-8-15-13(5-1)9-11-17(15)12-10-16-14-6-2-3-7-14/h13-16H,1-12H2.
What are the key properties of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine?
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine has a molecular weight of 236.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 82750623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).