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

C13H30N2 — CID 62591894

IUPACN'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCCCN(C)CCNCC(C)C
InChIInChI=1S/C13H30N2/c1-5-6-7-8-10-15(4)11-9-14-12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyQTMXNOLCERFNLF-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds10

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

N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62591894) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62591894
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCCCN(C)CCNCC(C)C
InChIInChI=1S/C13H30N2/c1-5-6-7-8-10-15(4)11-9-14-12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyQTMXNOLCERFNLF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810

Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 62591894) is N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CCCCCCN(C)CCNCC(C)C.
What is the InChIKey of N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is QTMXNOLCERFNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-6-7-8-10-15(4)11-9-14-12-13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 10 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-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62591894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).