17-iodo-N,N-dimethylheptadecan-1-amine

C19H40IN — CID 171063182

IUPAC17-iodo-N,N-dimethylheptadecan-1-amine
SMILESCN(C)CCCCCCCCCCCCCCCCCI
InChIInChI=1S/C19H40IN/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20/h3-19H2,1-2H3
InChIKeyOBUJZCQBXPDMSX-UHFFFAOYSA-N
MW409.44 g/mol
LogP6.83
Rot. Bonds17

About 17-iodo-N,N-dimethylheptadecan-1-amine

17-iodo-N,N-dimethylheptadecan-1-amine (PubChem CID 171063182) has the molecular formula C19H40IN and a molecular weight of 409.44 g/mol. Its IUPAC name is 17-iodo-N,N-dimethylheptadecan-1-amine.

Molecular Properties

Compound Name17-iodo-N,N-dimethylheptadecan-1-amine
PubChem CID171063182
Molecular FormulaC19H40IN
Molecular Weight409.44 g/mol
Exact Mass409.22
IUPAC Name17-iodo-N,N-dimethylheptadecan-1-amine
SMILESCN(C)CCCCCCCCCCCCCCCCCI
InChIInChI=1S/C19H40IN/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20/h3-19H2,1-2H3
InChIKeyOBUJZCQBXPDMSX-UHFFFAOYSA-N
XLogP6.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 56.83
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

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CID 139910591
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N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
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iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
CID 88790797
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
1,11-diiodoundecane
CID 4060847
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336

Frequently Asked Questions

What is the IUPAC name of 17-iodo-N,N-dimethylheptadecan-1-amine?
The IUPAC name of 17-iodo-N,N-dimethylheptadecan-1-amine (CID 171063182) is 17-iodo-N,N-dimethylheptadecan-1-amine.
What is the SMILES notation for 17-iodo-N,N-dimethylheptadecan-1-amine?
The canonical SMILES for 17-iodo-N,N-dimethylheptadecan-1-amine is CN(C)CCCCCCCCCCCCCCCCCI.
What is the InChIKey of 17-iodo-N,N-dimethylheptadecan-1-amine?
The InChIKey is OBUJZCQBXPDMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40IN/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20/h3-19H2,1-2H3.
What are the key properties of 17-iodo-N,N-dimethylheptadecan-1-amine?
17-iodo-N,N-dimethylheptadecan-1-amine has a molecular weight of 409.44 g/mol, XLogP of 6.83, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-iodo-N,N-dimethylheptadecan-1-amine is sourced from PubChem (CID 171063182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).