6-ethyl-2-methyloctane-3,6-diamine

C11H26N2 — CID 87586167

IUPAC6-ethyl-2-methyloctane-3,6-diamine
SMILESCCC(N)(CC)CCC(N)C(C)C
InChIInChI=1S/C11H26N2/c1-5-11(13,6-2)8-7-10(12)9(3)4/h9-10H,5-8,12-13H2,1-4H3
InChIKeyMYTXEJHQNWWRKX-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.27
Rot. Bonds6

About 6-ethyl-2-methyloctane-3,6-diamine

6-ethyl-2-methyloctane-3,6-diamine (PubChem CID 87586167) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 6-ethyl-2-methyloctane-3,6-diamine.

Molecular Properties

Compound Name6-ethyl-2-methyloctane-3,6-diamine
PubChem CID87586167
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name6-ethyl-2-methyloctane-3,6-diamine
SMILESCCC(N)(CC)CCC(N)C(C)C
InChIInChI=1S/C11H26N2/c1-5-11(13,6-2)8-7-10(12)9(3)4/h9-10H,5-8,12-13H2,1-4H3
InChIKeyMYTXEJHQNWWRKX-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylnonane-3,6-diamine
CID 87587189
6,6-difluoro-2-methylheptan-3-amine
CID 126844363
2,9-dimethyldecane-3,8-diamine
CID 87559181
azane;3-ethylhexan-3-amine
CID 18676269
3-ethylpentane-1,3-diamine
CID 22019015
4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride
CID 69455480
2-methyloctane-3,6-diamine
CID 88683394
(3R)-2-methylundecan-3-amine
CID 167260316
3-ethylheptan-3-amine
CID 12708037
1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
CID 103462177
1-bromo-3-methylbutan-2-amine
CID 13124274
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyloctane-3,6-diamine?
The IUPAC name of 6-ethyl-2-methyloctane-3,6-diamine (CID 87586167) is 6-ethyl-2-methyloctane-3,6-diamine.
What is the SMILES notation for 6-ethyl-2-methyloctane-3,6-diamine?
The canonical SMILES for 6-ethyl-2-methyloctane-3,6-diamine is CCC(N)(CC)CCC(N)C(C)C.
What is the InChIKey of 6-ethyl-2-methyloctane-3,6-diamine?
The InChIKey is MYTXEJHQNWWRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-11(13,6-2)8-7-10(12)9(3)4/h9-10H,5-8,12-13H2,1-4H3.
What are the key properties of 6-ethyl-2-methyloctane-3,6-diamine?
6-ethyl-2-methyloctane-3,6-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyloctane-3,6-diamine is sourced from PubChem (CID 87586167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).