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

C15H24N2S — CID 82853218

IUPACN-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC(NC1CCN2CCCC12)c1cccs1
InChIInChI=1S/C15H24N2S/c1-2-5-13(15-7-4-11-18-15)16-12-8-10-17-9-3-6-14(12)17/h4,7,11-14,16H,2-3,5-6,8-10H2,1H3
InChIKeyKCLWCUHBNVWVJQ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.42
Rot. Bonds5

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

N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853218) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853218
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC(NC1CCN2CCCC12)c1cccs1
InChIInChI=1S/C15H24N2S/c1-2-5-13(15-7-4-11-18-15)16-12-8-10-17-9-3-6-14(12)17/h4,7,11-14,16H,2-3,5-6,8-10H2,1H3
InChIKeyKCLWCUHBNVWVJQ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752179
2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
CID 62741344
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1-thiophen-2-ylethanol
CID 54967833
N-[1-(furan-2-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62632367
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 79536699
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853218) is N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCC(NC1CCN2CCCC12)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is KCLWCUHBNVWVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-5-13(15-7-4-11-18-15)16-12-8-10-17-9-3-6-14(12)17/h4,7,11-14,16H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 264.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).