N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine

C12H28N2 — CID 62635532

IUPACN'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
SMILESCCCCCCCNCCN(C)CC
InChIInChI=1S/C12H28N2/c1-4-6-7-8-9-10-13-11-12-14(3)5-2/h13H,4-12H2,1-3H3
InChIKeyHMLNEFURFZDWLR-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds10

About N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine

N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine (PubChem CID 62635532) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
PubChem CID62635532
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
SMILESCCCCCCCNCCN(C)CC
InChIInChI=1S/C12H28N2/c1-4-6-7-8-9-10-13-11-12-14(3)5-2/h13H,4-12H2,1-3H3
InChIKeyHMLNEFURFZDWLR-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
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',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N'-ethyl-N'-methyl-N-pentylmethanediamine;icosane
CID 174394236
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N,N'-diheptylhexane-1,6-diamine
CID 3028571
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine (CID 62635532) is N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine is CCCCCCCNCCN(C)CC.
What is the InChIKey of N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine?
The InChIKey is HMLNEFURFZDWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-6-7-8-9-10-13-11-12-14(3)5-2/h13H,4-12H2,1-3H3.
What are the key properties of N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine?
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62635532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).