N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine

C14H23NS — CID 79607891

IUPACN-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)Cc1ccsc1
InChIInChI=1S/C14H23NS/c1-12(10-13-7-9-16-11-13)6-5-8-15-14(2,3)4/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyAPCRNRBMWCQAJH-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.02
Rot. Bonds5

About N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine

N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine (PubChem CID 79607891) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
PubChem CID79607891
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)Cc1ccsc1
InChIInChI=1S/C14H23NS/c1-12(10-13-7-9-16-11-13)6-5-8-15-14(2,3)4/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyAPCRNRBMWCQAJH-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine (CID 79607891) is N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine is CC(=CCCNC(C)(C)C)Cc1ccsc1.
What is the InChIKey of N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine?
The InChIKey is APCRNRBMWCQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-12(10-13-7-9-16-11-13)6-5-8-15-14(2,3)4/h6-7,9,11,15H,5,8,10H2,1-4H3.
What are the key properties of N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine?
N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine is sourced from PubChem (CID 79607891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).