5-iodo-N,N-dimethylpentan-1-amine

C7H16IN — CID 139910591

IUPAC5-iodo-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCI
InChIInChI=1S/C7H16IN/c1-9(2)7-5-3-4-6-8/h3-7H2,1-2H3
InChIKeyKZDREJMHTIXYJC-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.15
Rot. Bonds5

About 5-iodo-N,N-dimethylpentan-1-amine

5-iodo-N,N-dimethylpentan-1-amine (PubChem CID 139910591) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is 5-iodo-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-iodo-N,N-dimethylpentan-1-amine
PubChem CID139910591
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name5-iodo-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCI
InChIInChI=1S/C7H16IN/c1-9(2)7-5-3-4-6-8/h3-7H2,1-2H3
InChIKeyKZDREJMHTIXYJC-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.15
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

17-iodo-N,N-dimethylheptadecan-1-amine
CID 171063182
3-iodo-N,N-dimethylpropan-1-amine;hydrochloride
CID 134304472
N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 107845044
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyloctan-1-amine
CID 161279104
iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
CID 88790797
1,11-diiodoundecane
CID 4060847
N',N'-dimethylicosane-1,20-diamine
CID 54351766
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dimethylpentan-1-amine?
The IUPAC name of 5-iodo-N,N-dimethylpentan-1-amine (CID 139910591) is 5-iodo-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 5-iodo-N,N-dimethylpentan-1-amine?
The canonical SMILES for 5-iodo-N,N-dimethylpentan-1-amine is CN(C)CCCCCI.
What is the InChIKey of 5-iodo-N,N-dimethylpentan-1-amine?
The InChIKey is KZDREJMHTIXYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN/c1-9(2)7-5-3-4-6-8/h3-7H2,1-2H3.
What are the key properties of 5-iodo-N,N-dimethylpentan-1-amine?
5-iodo-N,N-dimethylpentan-1-amine has a molecular weight of 241.12 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 139910591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).