2,4-dimethylhexane-1,6-diamine;ethane

C10H26N2 — CID 142019554

IUPAC2,4-dimethylhexane-1,6-diamine;ethane
SMILESCC.CC(CN)CC(C)CCN
InChIInChI=1S/C8H20N2.C2H6/c1-7(3-4-9)5-8(2)6-10;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3
InChIKeyABHHLJYGQPUOAS-UHFFFAOYSA-N
MW174.33 g/mol
LogP1.98
Rot. Bonds5

About 2,4-dimethylhexane-1,6-diamine;ethane

2,4-dimethylhexane-1,6-diamine;ethane (PubChem CID 142019554) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2,4-dimethylhexane-1,6-diamine;ethane.

Molecular Properties

Compound Name2,4-dimethylhexane-1,6-diamine;ethane
PubChem CID142019554
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC Name2,4-dimethylhexane-1,6-diamine;ethane
SMILESCC.CC(CN)CC(C)CCN
InChIInChI=1S/C8H20N2.C2H6/c1-7(3-4-9)5-8(2)6-10;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3
InChIKeyABHHLJYGQPUOAS-UHFFFAOYSA-N
XLogP1.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methylbutane-1,4-diamine
CID 51382069
3,5,7-trimethyloctan-1-amine
CID 89355702
(4S)-2-methylpentane-1,4-diamine
CID 170201725
2,4-dimethylnonan-1-amine
CID 123882027
4-ethyl-2-methylheptane-1,7-diamine
CID 18353547
1,7-diamino-6-methylheptan-3-ol
CID 88669461
3,5-dimethylhex-5-en-1-amine
CID 81013069
1,7-dibromo-3,5-dimethylheptane
CID 155037332
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
ethane;3-methoxy-5-methylhexan-1-amine
CID 178106787
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhexane-1,6-diamine;ethane?
The IUPAC name of 2,4-dimethylhexane-1,6-diamine;ethane (CID 142019554) is 2,4-dimethylhexane-1,6-diamine;ethane.
What is the SMILES notation for 2,4-dimethylhexane-1,6-diamine;ethane?
The canonical SMILES for 2,4-dimethylhexane-1,6-diamine;ethane is CC.CC(CN)CC(C)CCN.
What is the InChIKey of 2,4-dimethylhexane-1,6-diamine;ethane?
The InChIKey is ABHHLJYGQPUOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C2H6/c1-7(3-4-9)5-8(2)6-10;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethylhexane-1,6-diamine;ethane?
2,4-dimethylhexane-1,6-diamine;ethane has a molecular weight of 174.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhexane-1,6-diamine;ethane is sourced from PubChem (CID 142019554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).