1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine

C14H20IN — CID 105003795

IUPAC1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccccc1I
InChIInChI=1S/C14H20IN/c1-4-9-16-14(10-11(2)3)12-7-5-6-8-13(12)15/h5-8,14,16H,2,4,9-10H2,1,3H3
InChIKeyPVMMZKNTXINDRB-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.30
Rot. Bonds6

About 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine

1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine (PubChem CID 105003795) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
PubChem CID105003795
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccccc1I
InChIInChI=1S/C14H20IN/c1-4-9-16-14(10-11(2)3)12-7-5-6-8-13(12)15/h5-8,14,16H,2,4,9-10H2,1,3H3
InChIKeyPVMMZKNTXINDRB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.30
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-(2-tert-butylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004229
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
1-(2,5-dibromophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003992
N-[2-(5-ethylthiophen-2-yl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 115842306
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
CID 107357266
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004037

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine (CID 105003795) is 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine?
The InChIKey is PVMMZKNTXINDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-4-9-16-14(10-11(2)3)12-7-5-6-8-13(12)15/h5-8,14,16H,2,4,9-10H2,1,3H3.
What are the key properties of 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine?
1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine has a molecular weight of 329.23 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 105003795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).