N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine

C14H32N2 — CID 107815978

IUPACN'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
SMILESCCCCC(CC)CNCCCC(C)CN
InChIInChI=1S/C14H32N2/c1-4-6-9-14(5-2)12-16-10-7-8-13(3)11-15/h13-14,16H,4-12,15H2,1-3H3
InChIKeyPVFREBACSJFUEL-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.17
Rot. Bonds11

About N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine

N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine (PubChem CID 107815978) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
PubChem CID107815978
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
SMILESCCCCC(CC)CNCCCC(C)CN
InChIInChI=1S/C14H32N2/c1-4-6-9-14(5-2)12-16-10-7-8-13(3)11-15/h13-14,16H,4-12,15H2,1-3H3
InChIKeyPVFREBACSJFUEL-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.17
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)-3-methylhexane-1,6-diamine
CID 114004218
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
CID 107815808
6-ethyl-2-methyloctan-1-amine
CID 169188535
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine?
The IUPAC name of N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine (CID 107815978) is N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine is CCCCC(CC)CNCCCC(C)CN.
What is the InChIKey of N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine?
The InChIKey is PVFREBACSJFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-4-6-9-14(5-2)12-16-10-7-8-13(3)11-15/h13-14,16H,4-12,15H2,1-3H3.
What are the key properties of N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine?
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 107815978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).