N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine

C13H30N2 — CID 62561098

IUPACN'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
SMILESCCCCCCNCCN(C)C(C)CC
InChIInChI=1S/C13H30N2/c1-5-7-8-9-10-14-11-12-15(4)13(3)6-2/h13-14H,5-12H2,1-4H3
InChIKeyGDODERFITRMSHT-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.89
Rot. Bonds10

About N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine (PubChem CID 62561098) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
PubChem CID62561098
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
SMILESCCCCCCNCCN(C)C(C)CC
InChIInChI=1S/C13H30N2/c1-5-7-8-9-10-14-11-12-15(4)13(3)6-2/h13-14H,5-12H2,1-4H3
InChIKeyGDODERFITRMSHT-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.89
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-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555171
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
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

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine (CID 62561098) is N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine is CCCCCCNCCN(C)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine?
The InChIKey is GDODERFITRMSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-7-8-9-10-14-11-12-15(4)13(3)6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62561098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).