N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine

C13H30N2 — CID 107815747

IUPACN-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
SMILESCCNCCNCCCCCCC(C)C
InChIInChI=1S/C13H30N2/c1-4-14-11-12-15-10-8-6-5-7-9-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyBHEGYGWQVQPHHE-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.79
Rot. Bonds11

About N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine

N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine (PubChem CID 107815747) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
PubChem CID107815747
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
SMILESCCNCCNCCCCCCC(C)C
InChIInChI=1S/C13H30N2/c1-4-14-11-12-15-10-8-6-5-7-9-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyBHEGYGWQVQPHHE-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
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-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
N-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine;methane;tetrahydrobromide
CID 161368262
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine (CID 107815747) is N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine is CCNCCNCCCCCCC(C)C.
What is the InChIKey of N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine?
The InChIKey is BHEGYGWQVQPHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-4-14-11-12-15-10-8-6-5-7-9-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine?
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine is sourced from PubChem (CID 107815747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).