1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine

C13H20BrNS — CID 105039383

IUPAC1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1sccc1Br
InChIInChI=1S/C13H20BrNS/c1-4-8-15-12(6-5-10(2)3)13-11(14)7-9-16-13/h7,9,12,15H,2,4-6,8H2,1,3H3
InChIKeyKSCKEQJKBMZYPV-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.91
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine

1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 105039383) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID105039383
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1sccc1Br
InChIInChI=1S/C13H20BrNS/c1-4-8-15-12(6-5-10(2)3)13-11(14)7-9-16-13/h7,9,12,15H,2,4-6,8H2,1,3H3
InChIKeyKSCKEQJKBMZYPV-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105173119
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine
CID 105182615
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine (CID 105039383) is 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is KSCKEQJKBMZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-4-8-15-12(6-5-10(2)3)13-11(14)7-9-16-13/h7,9,12,15H,2,4-6,8H2,1,3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105039383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).