3-ethyl-N,2-dimethylhexane-1,6-diamine

C10H24N2 — CID 167243609

IUPAC3-ethyl-N,2-dimethylhexane-1,6-diamine
SMILESCCC(CCCN)C(C)CNC
InChIInChI=1S/C10H24N2/c1-4-10(6-5-7-11)9(2)8-12-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyBJLAQAAPGHNOLG-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.61
Rot. Bonds7

About 3-ethyl-N,2-dimethylhexane-1,6-diamine

3-ethyl-N,2-dimethylhexane-1,6-diamine (PubChem CID 167243609) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3-ethyl-N,2-dimethylhexane-1,6-diamine.

Molecular Properties

Compound Name3-ethyl-N,2-dimethylhexane-1,6-diamine
PubChem CID167243609
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3-ethyl-N,2-dimethylhexane-1,6-diamine
SMILESCCC(CCCN)C(C)CNC
InChIInChI=1S/C10H24N2/c1-4-10(6-5-7-11)9(2)8-12-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyBJLAQAAPGHNOLG-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-4-methylundecan-1-amine
CID 123603936
4-ethyl-N,2,3-trimethylhexan-1-amine
CID 81016433
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
3-ethyl-4-methylhexan-1-amine
CID 123538643
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
2-chloro-N-methylpentane-1,5-diamine
CID 163782242
3-ethyl-2-methylpentane-1,5-diamine
CID 88540021
4-ethyl-3-methylheptan-1-amine
CID 143231179
4-propan-2-yloctan-1-amine
CID 126657786
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
4,5-dimethylhexan-1-amine
CID 55283993
2-ethyl-1-N-methylhexane-1,3-diamine
CID 116946426

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,2-dimethylhexane-1,6-diamine?
The IUPAC name of 3-ethyl-N,2-dimethylhexane-1,6-diamine (CID 167243609) is 3-ethyl-N,2-dimethylhexane-1,6-diamine.
What is the SMILES notation for 3-ethyl-N,2-dimethylhexane-1,6-diamine?
The canonical SMILES for 3-ethyl-N,2-dimethylhexane-1,6-diamine is CCC(CCCN)C(C)CNC.
What is the InChIKey of 3-ethyl-N,2-dimethylhexane-1,6-diamine?
The InChIKey is BJLAQAAPGHNOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-10(6-5-7-11)9(2)8-12-3/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 3-ethyl-N,2-dimethylhexane-1,6-diamine?
3-ethyl-N,2-dimethylhexane-1,6-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,2-dimethylhexane-1,6-diamine is sourced from PubChem (CID 167243609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).