N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C12H28N2 — CID 62573357

IUPACN-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCCNCCN(C)C(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-8-9-13-10-11-14(4)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyWJWQJENVDLDOIB-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62573357) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62573357
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCCNCCN(C)C(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-8-9-13-10-11-14(4)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyWJWQJENVDLDOIB-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 164907050
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
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-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62573357) is N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CCCCCCNCCN(C)C(C)C.
What is the InChIKey of N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WJWQJENVDLDOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-6-7-8-9-13-10-11-14(4)12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 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'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62573357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).