1-(4-iodophenyl)-N-propyldecan-2-amine

C19H32IN — CID 115864004

IUPAC1-(4-iodophenyl)-N-propyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(I)cc1)NCCC
InChIInChI=1S/C19H32IN/c1-3-5-6-7-8-9-10-19(21-15-4-2)16-17-11-13-18(20)14-12-17/h11-14,19,21H,3-10,15-16H2,1-2H3
InChIKeyJMSSJTSZQAQCFX-UHFFFAOYSA-N
MW401.38 g/mol
LogP5.95
Rot. Bonds12

About 1-(4-iodophenyl)-N-propyldecan-2-amine

1-(4-iodophenyl)-N-propyldecan-2-amine (PubChem CID 115864004) has the molecular formula C19H32IN and a molecular weight of 401.38 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-propyldecan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-propyldecan-2-amine
PubChem CID115864004
Molecular FormulaC19H32IN
Molecular Weight401.38 g/mol
Exact Mass401.16
IUPAC Name1-(4-iodophenyl)-N-propyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(I)cc1)NCCC
InChIInChI=1S/C19H32IN/c1-3-5-6-7-8-9-10-19(21-15-4-2)16-17-11-13-18(20)14-12-17/h11-14,19,21H,3-10,15-16H2,1-2H3
InChIKeyJMSSJTSZQAQCFX-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
1-(4-iodophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105151870
4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-propyldecan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-N-propyldecan-2-amine (CID 115864004) is 1-(4-iodophenyl)-N-propyldecan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-propyldecan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-propyldecan-2-amine is CCCCCCCCC(Cc1ccc(I)cc1)NCCC.
What is the InChIKey of 1-(4-iodophenyl)-N-propyldecan-2-amine?
The InChIKey is JMSSJTSZQAQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32IN/c1-3-5-6-7-8-9-10-19(21-15-4-2)16-17-11-13-18(20)14-12-17/h11-14,19,21H,3-10,15-16H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-propyldecan-2-amine?
1-(4-iodophenyl)-N-propyldecan-2-amine has a molecular weight of 401.38 g/mol, XLogP of 5.95, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-propyldecan-2-amine is sourced from PubChem (CID 115864004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).