4-(1-iodoethyl)-N,N-dimethylnonan-1-amine

C13H28IN — CID 167004747

IUPAC4-(1-iodoethyl)-N,N-dimethylnonan-1-amine
SMILESCCCCCC(CCCN(C)C)C(C)I
InChIInChI=1S/C13H28IN/c1-5-6-7-9-13(12(2)14)10-8-11-15(3)4/h12-13H,5-11H2,1-4H3
InChIKeyOVUAEXFSKBSHDP-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.35
Rot. Bonds9

About 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine

4-(1-iodoethyl)-N,N-dimethylnonan-1-amine (PubChem CID 167004747) has the molecular formula C13H28IN and a molecular weight of 325.28 g/mol. Its IUPAC name is 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine.

Molecular Properties

Compound Name4-(1-iodoethyl)-N,N-dimethylnonan-1-amine
PubChem CID167004747
Molecular FormulaC13H28IN
Molecular Weight325.28 g/mol
Exact Mass325.13
IUPAC Name4-(1-iodoethyl)-N,N-dimethylnonan-1-amine
SMILESCCCCCC(CCCN(C)C)C(C)I
InChIInChI=1S/C13H28IN/c1-5-6-7-9-13(12(2)14)10-8-11-15(3)4/h12-13H,5-11H2,1-4H3
InChIKeyOVUAEXFSKBSHDP-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
5-ethyl-6-iodo-N,N-dimethyldecan-1-amine
CID 126565702
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
1,1,1-trifluoro-5-(1-iodoethyl)undecane
CID 142693981
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
tributyl-[3-(dimethylamino)propyl]phosphanium chloride
CID 19764961
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine
CID 150712358
2-[3-(dimethylamino)propyl]tetradecanoic acid
CID 174886479
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423

Frequently Asked Questions

What is the IUPAC name of 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine?
The IUPAC name of 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine (CID 167004747) is 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine.
What is the SMILES notation for 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine?
The canonical SMILES for 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine is CCCCCC(CCCN(C)C)C(C)I.
What is the InChIKey of 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine?
The InChIKey is OVUAEXFSKBSHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28IN/c1-5-6-7-9-13(12(2)14)10-8-11-15(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine?
4-(1-iodoethyl)-N,N-dimethylnonan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodoethyl)-N,N-dimethylnonan-1-amine is sourced from PubChem (CID 167004747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).