2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine

C12H24IN — CID 129059438

IUPAC2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine
SMILESC=C(CCC(NC)C(C)I)C(C)CC
InChIInChI=1S/C12H24IN/c1-6-9(2)10(3)7-8-12(14-5)11(4)13/h9,11-12,14H,3,6-8H2,1-2,4-5H3
InChIKeyXDDCGUQBUBFQTN-UHFFFAOYSA-N
MW309.24 g/mol
LogP3.78
Rot. Bonds7

About 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine

2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine (PubChem CID 129059438) has the molecular formula C12H24IN and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine.

Molecular Properties

Compound Name2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine
PubChem CID129059438
Molecular FormulaC12H24IN
Molecular Weight309.24 g/mol
Exact Mass309.10
IUPAC Name2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine
SMILESC=C(CCC(NC)C(C)I)C(C)CC
InChIInChI=1S/C12H24IN/c1-6-9(2)10(3)7-8-12(14-5)11(4)13/h9,11-12,14H,3,6-8H2,1-2,4-5H3
InChIKeyXDDCGUQBUBFQTN-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.78
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine?
The IUPAC name of 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine (CID 129059438) is 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine.
What is the SMILES notation for 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine?
The canonical SMILES for 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine is C=C(CCC(NC)C(C)I)C(C)CC.
What is the InChIKey of 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine?
The InChIKey is XDDCGUQBUBFQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24IN/c1-6-9(2)10(3)7-8-12(14-5)11(4)13/h9,11-12,14H,3,6-8H2,1-2,4-5H3.
What are the key properties of 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine?
2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine has a molecular weight of 309.24 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine is sourced from PubChem (CID 129059438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).