N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine

C11H27N3 — CID 23461237

IUPACN-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
SMILESCN(C)CCCCCCNCCCN
InChIInChI=1S/C11H27N3/c1-14(2)11-6-4-3-5-9-13-10-7-8-12/h13H,3-12H2,1-2H3
InChIKeyAHLVXXNNSWMQRR-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.05
Rot. Bonds10

About N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine

N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine (PubChem CID 23461237) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
PubChem CID23461237
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
SMILESCN(C)CCCCCCNCCCN
InChIInChI=1S/C11H27N3/c1-14(2)11-6-4-3-5-9-13-10-7-8-12/h13H,3-12H2,1-2H3
InChIKeyAHLVXXNNSWMQRR-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylpentane-1,5-diamine
CID 3465925
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;bis(N',N'-dimethylpropane-1,3-diamine);ethane-1,2-diamine
CID 157170431
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethylbutane-1,4-diamine;silane
CID 162130960
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine?
The IUPAC name of N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine (CID 23461237) is N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine.
What is the SMILES notation for N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine?
The canonical SMILES for N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine is CN(C)CCCCCCNCCCN.
What is the InChIKey of N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine?
The InChIKey is AHLVXXNNSWMQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-14(2)11-6-4-3-5-9-13-10-7-8-12/h13H,3-12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine?
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine is sourced from PubChem (CID 23461237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).