N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C16H30N2 — CID 103847643

IUPACN-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC1(CNC2CCN3CCCC3C2)CCCC1
InChIInChI=1S/C16H30N2/c1-2-16(8-3-4-9-16)13-17-14-7-11-18-10-5-6-15(18)12-14/h14-15,17H,2-13H2,1H3
InChIKeyLOWVIFOPGNAFSG-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds4

About N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 103847643) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID103847643
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC1(CNC2CCN3CCCC3C2)CCCC1
InChIInChI=1S/C16H30N2/c1-2-16(8-3-4-9-16)13-17-14-7-11-18-10-5-6-15(18)12-14/h14-15,17H,2-13H2,1H3
InChIKeyLOWVIFOPGNAFSG-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 102897639
N-[(1-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115689744
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115680355
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103033505
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104562707
N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298614
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 103847643) is N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CCC1(CNC2CCN3CCCC3C2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is LOWVIFOPGNAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-16(8-3-4-9-16)13-17-14-7-11-18-10-5-6-15(18)12-14/h14-15,17H,2-13H2,1H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 103847643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).