N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine

C15H25NOS — CID 65164005

IUPACN-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCCCC1CCCO1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-2-6-14(15-9-5-12-18-15)16-10-3-7-13-8-4-11-17-13/h5,9,12-14,16H,2-4,6-8,10-11H2,1H3
InChIKeyCUDKYSMGPKBTAK-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.14
Rot. Bonds8

About N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine

N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine (PubChem CID 65164005) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
PubChem CID65164005
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCCCC1CCCO1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-2-6-14(15-9-5-12-18-15)16-10-3-7-13-8-4-11-17-13/h5,9,12-14,16H,2-4,6-8,10-11H2,1H3
InChIKeyCUDKYSMGPKBTAK-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104993082
1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993148
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine (CID 65164005) is N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine is CCCC(NCCCC1CCCO1)c1cccs1.
What is the InChIKey of N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine?
The InChIKey is CUDKYSMGPKBTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-2-6-14(15-9-5-12-18-15)16-10-3-7-13-8-4-11-17-13/h5,9,12-14,16H,2-4,6-8,10-11H2,1H3.
What are the key properties of N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine?
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 65164005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).