5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine

C10H20IN — CID 174285327

IUPAC5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine
SMILESCCC(CI)CC(NC)=C(C)C
InChIInChI=1S/C10H20IN/c1-5-9(7-11)6-10(12-4)8(2)3/h9,12H,5-7H2,1-4H3
InChIKeyHUCGWQHUYYOUGH-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.35
Rot. Bonds5

About 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine

5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine (PubChem CID 174285327) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine.

Molecular Properties

Compound Name5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine
PubChem CID174285327
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine
SMILESCCC(CI)CC(NC)=C(C)C
InChIInChI=1S/C10H20IN/c1-5-9(7-11)6-10(12-4)8(2)3/h9,12H,5-7H2,1-4H3
InChIKeyHUCGWQHUYYOUGH-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine?
The IUPAC name of 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine (CID 174285327) is 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine.
What is the SMILES notation for 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine?
The canonical SMILES for 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine is CCC(CI)CC(NC)=C(C)C.
What is the InChIKey of 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine?
The InChIKey is HUCGWQHUYYOUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN/c1-5-9(7-11)6-10(12-4)8(2)3/h9,12H,5-7H2,1-4H3.
What are the key properties of 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine?
5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine has a molecular weight of 281.18 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine is sourced from PubChem (CID 174285327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).