1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine

C15H22IN — CID 105039748

IUPAC1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(I)cc1
InChIInChI=1S/C15H22IN/c1-4-11-17-15(10-5-12(2)3)13-6-8-14(16)9-7-13/h6-9,15,17H,2,4-5,10-11H2,1,3H3
InChIKeyNUDDMLBRWUUHJI-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.69
Rot. Bonds7

About 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 105039748) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID105039748
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC Name1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(I)cc1
InChIInChI=1S/C15H22IN/c1-4-11-17-15(10-5-12(2)3)13-6-8-14(16)9-7-13/h6-9,15,17H,2,4-5,10-11H2,1,3H3
InChIKeyNUDDMLBRWUUHJI-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 106849339
[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
CID 105335995
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 105039748) is 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is NUDDMLBRWUUHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-4-11-17-15(10-5-12(2)3)13-6-8-14(16)9-7-13/h6-9,15,17H,2,4-5,10-11H2,1,3H3.
What are the key properties of 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 343.25 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105039748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).