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

C14H26N2 — CID 81298614

IUPACN-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)C1(C)CC1
InChIInChI=1S/C14H26N2/c1-11(14(2)6-7-14)15-12-5-9-16-8-3-4-13(16)10-12/h11-13,15H,3-10H2,1-2H3
InChIKeyXFXDIWCKFYAMSY-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds3

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

N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81298614) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81298614
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)C1(C)CC1
InChIInChI=1S/C14H26N2/c1-11(14(2)6-7-14)15-12-5-9-16-8-3-4-13(16)10-12/h11-13,15H,3-10H2,1-2H3
InChIKeyXFXDIWCKFYAMSY-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-methylcyclopropyl)ethyl]cyclopropanamine
CID 43363059
N-(3-propan-2-ylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847608
(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-(3-fluoro-4-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297104
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
CID 104663685
N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 113260246
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298610
N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847643
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81298614) is N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CC(NC1CCN2CCCC2C1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is XFXDIWCKFYAMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(14(2)6-7-14)15-12-5-9-16-8-3-4-13(16)10-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 222.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81298614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).