N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C17H26N2 — CID 43752400

IUPACN-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCC(NC1CCN2CCCC12)c1ccc(C)cc1
InChIInChI=1S/C17H26N2/c1-3-15(14-8-6-13(2)7-9-14)18-16-10-12-19-11-4-5-17(16)19/h6-9,15-18H,3-5,10-12H2,1-2H3
InChIKeyBMZOACVLMHRGII-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752400) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752400
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCC(NC1CCN2CCCC12)c1ccc(C)cc1
InChIInChI=1S/C17H26N2/c1-3-15(14-8-6-13(2)7-9-14)18-16-10-12-19-11-4-5-17(16)19/h6-9,15-18H,3-5,10-12H2,1-2H3
InChIKeyBMZOACVLMHRGII-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694264
N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752179
N-[1-(furan-2-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62632367
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 63994661
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
CID 103902441
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752346
N-(2,2-dimethyl-1-phenylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853453
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792606

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752400) is N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCC(NC1CCN2CCCC12)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is BMZOACVLMHRGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-15(14-8-6-13(2)7-9-14)18-16-10-12-19-11-4-5-17(16)19/h6-9,15-18H,3-5,10-12H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).