4-N,5-dimethylhexane-1,4-diamine

C8H20N2 — CID 116949244

IUPAC4-N,5-dimethylhexane-1,4-diamine
SMILESCNC(CCCN)C(C)C
InChIInChI=1S/C8H20N2/c1-7(2)8(10-3)5-4-6-9/h7-8,10H,4-6,9H2,1-3H3
InChIKeyDOUOWMHOLDCDIZ-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds5

About 4-N,5-dimethylhexane-1,4-diamine

4-N,5-dimethylhexane-1,4-diamine (PubChem CID 116949244) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 4-N,5-dimethylhexane-1,4-diamine.

Molecular Properties

Compound Name4-N,5-dimethylhexane-1,4-diamine
PubChem CID116949244
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name4-N,5-dimethylhexane-1,4-diamine
SMILESCNC(CCCN)C(C)C
InChIInChI=1S/C8H20N2/c1-7(2)8(10-3)5-4-6-9/h7-8,10H,4-6,9H2,1-3H3
InChIKeyDOUOWMHOLDCDIZ-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(methylamino)pentane-1-thiol
CID 116831345
4,5-dimethylhexan-1-amine
CID 55283993
6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
CID 104564547
4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine
CID 20755632
5-methyl-4-(methylamino)hexanenitrile
CID 116955242
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
36-methylheptatriacontan-1-amine
CID 134324173
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
[3-methyl-2-(methylamino)butyl] carbamate
CID 174859482
1,1-difluoro-N,6-dimethylheptan-2-amine
CID 103517025

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethylhexane-1,4-diamine?
The IUPAC name of 4-N,5-dimethylhexane-1,4-diamine (CID 116949244) is 4-N,5-dimethylhexane-1,4-diamine.
What is the SMILES notation for 4-N,5-dimethylhexane-1,4-diamine?
The canonical SMILES for 4-N,5-dimethylhexane-1,4-diamine is CNC(CCCN)C(C)C.
What is the InChIKey of 4-N,5-dimethylhexane-1,4-diamine?
The InChIKey is DOUOWMHOLDCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(2)8(10-3)5-4-6-9/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 4-N,5-dimethylhexane-1,4-diamine?
4-N,5-dimethylhexane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethylhexane-1,4-diamine is sourced from PubChem (CID 116949244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).