N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C18H29N3 — CID 43783408

IUPACN-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H29N3/c1-14(15-7-9-16(10-8-15)20(2)3)19-17-11-13-21-12-5-4-6-18(17)21/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyNJUWQDIQQFJUAB-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.03
Rot. Bonds4

About N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43783408) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43783408
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H29N3/c1-14(15-7-9-16(10-8-15)20(2)3)19-17-11-13-21-12-5-4-6-18(17)21/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyNJUWQDIQQFJUAB-UHFFFAOYSA-N
XLogP3.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752346
[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
CID 43792627
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62090694
N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 54881794
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358
N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64828411
N-(1-cyclohexylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783420
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694264

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43783408) is N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(NC1CCN2CCCCC12)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is NJUWQDIQQFJUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(15-7-9-16(10-8-15)20(2)3)19-17-11-13-21-12-5-4-6-18(17)21/h7-10,14,17-19H,4-6,11-13H2,1-3H3.
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43783408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).