N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C16H24N2O — CID 82853542

IUPACN-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCOc1cccc(NC2CCN3CCCC23)c1
InChIInChI=1S/C16H24N2O/c1-2-11-19-14-6-3-5-13(12-14)17-15-8-10-18-9-4-7-16(15)18/h3,5-6,12,15-17H,2,4,7-11H2,1H3
InChIKeyDKSHVRPJAUAKBH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds5

About N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853542) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853542
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCOc1cccc(NC2CCN3CCCC23)c1
InChIInChI=1S/C16H24N2O/c1-2-11-19-14-6-3-5-13(12-14)17-15-8-10-18-9-4-7-16(15)18/h3,5-6,12,15-17H,2,4,7-11H2,1H3
InChIKeyDKSHVRPJAUAKBH-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenoxy]butanenitrile
CID 82823571
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline
CID 64761419
3-propoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758477
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
N-(3-chloro-4-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853996
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82854063
2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine
CID 113367655
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853542) is N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCOc1cccc(NC2CCN3CCCC23)c1.
What is the InChIKey of N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is DKSHVRPJAUAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-11-19-14-6-3-5-13(12-14)17-15-8-10-18-9-4-7-16(15)18/h3,5-6,12,15-17H,2,4,7-11H2,1H3.
What are the key properties of N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).