2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine

C13H30N2 — CID 115326129

IUPAC2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
SMILESCCNC(C)(C)CNCCCCC(C)C
InChIInChI=1S/C13H30N2/c1-6-15-13(4,5)11-14-10-8-7-9-12(2)3/h12,14-15H,6-11H2,1-5H3
InChIKeyGHBOPRXXAVJNFO-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.79
Rot. Bonds9

About 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine

2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine (PubChem CID 115326129) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
PubChem CID115326129
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
SMILESCCNC(C)(C)CNCCCCC(C)C
InChIInChI=1S/C13H30N2/c1-6-15-13(4,5)11-14-10-8-7-9-12(2)3/h12,14-15H,6-11H2,1-5H3
InChIKeyGHBOPRXXAVJNFO-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
CID 115520295
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
3-[(7-methyloctylamino)methyl]pentan-3-ol
CID 107814894
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol
CID 144849079

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine (CID 115326129) is 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine is CCNC(C)(C)CNCCCCC(C)C.
What is the InChIKey of 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine?
The InChIKey is GHBOPRXXAVJNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-15-13(4,5)11-14-10-8-7-9-12(2)3/h12,14-15H,6-11H2,1-5H3.
What are the key properties of 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine?
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine is sourced from PubChem (CID 115326129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).