N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine

C14H32N2 — CID 62557407

IUPACN-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCCCCCCNCCN(C)CCC(C)C
InChIInChI=1S/C14H32N2/c1-5-6-7-8-10-15-11-13-16(4)12-9-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyGWHCEPJGRWHPDG-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds11

About N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine

N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 62557407) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
PubChem CID62557407
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCCCCCCNCCN(C)CCC(C)C
InChIInChI=1S/C14H32N2/c1-5-6-7-8-10-15-11-13-16(4)12-9-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyGWHCEPJGRWHPDG-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (CID 62557407) is N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is CCCCCCNCCN(C)CCC(C)C.
What is the InChIKey of N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is GWHCEPJGRWHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-6-7-8-10-15-11-13-16(4)12-9-14(2)3/h14-15H,5-13H2,1-4H3.
What are the key properties of N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62557407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).