N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine

C15H34N2 — CID 114004218

IUPACN'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
SMILESCCCCC(CC)CNCCCC(C)CCN
InChIInChI=1S/C15H34N2/c1-4-6-9-15(5-2)13-17-12-7-8-14(3)10-11-16/h14-15,17H,4-13,16H2,1-3H3
InChIKeyTXXMIKYEGNTQBB-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.56
Rot. Bonds12

About N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine

N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine (PubChem CID 114004218) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
PubChem CID114004218
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
SMILESCCCCC(CC)CNCCCC(C)CCN
InChIInChI=1S/C15H34N2/c1-4-6-9-15(5-2)13-17-12-7-8-14(3)10-11-16/h14-15,17H,4-13,16H2,1-3H3
InChIKeyTXXMIKYEGNTQBB-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine?
The IUPAC name of N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine (CID 114004218) is N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine.
What is the SMILES notation for N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine?
The canonical SMILES for N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine is CCCCC(CC)CNCCCC(C)CCN.
What is the InChIKey of N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine?
The InChIKey is TXXMIKYEGNTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-4-6-9-15(5-2)13-17-12-7-8-14(3)10-11-16/h14-15,17H,4-13,16H2,1-3H3.
What are the key properties of N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine?
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine is sourced from PubChem (CID 114004218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).