N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine

C11H25IN2 — CID 107845044

IUPACN-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCCCCCCI
InChIInChI=1S/C11H25IN2/c1-14(2)11-7-10-13-9-6-4-3-5-8-12/h13H,3-11H2,1-2H3
InChIKeyLOVMAAKRKYLORY-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.52
Rot. Bonds10

About N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine

N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 107845044) has the molecular formula C11H25IN2 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID107845044
Molecular FormulaC11H25IN2
Molecular Weight312.24 g/mol
Exact Mass312.11
IUPAC NameN-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCCCCCCI
InChIInChI=1S/C11H25IN2/c1-14(2)11-7-10-13-9-6-4-3-5-8-12/h13H,3-11H2,1-2H3
InChIKeyLOVMAAKRKYLORY-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
5-iodo-N,N-dimethylpentan-1-amine
CID 139910591
17-iodo-N,N-dimethylheptadecan-1-amine
CID 171063182
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
12-iodo-N-propyldodecan-1-amine
CID 166998294
N-(4-iodobutyl)octan-1-amine
CID 106844597
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
3-iodo-N,N-dimethylpropan-1-amine;hydrochloride
CID 134304472
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine (CID 107845044) is N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCCCCCCI.
What is the InChIKey of N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LOVMAAKRKYLORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25IN2/c1-14(2)11-7-10-13-9-6-4-3-5-8-12/h13H,3-11H2,1-2H3.
What are the key properties of N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 312.24 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 107845044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).