2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine

C13H30N2 — CID 79092822

IUPAC2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(CN(C)C)NCC
InChIInChI=1S/C13H30N2/c1-5-7-8-9-10-11-13(14-6-2)12-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyCOTQDTNXMFFMIA-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.89
Rot. Bonds10

About 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine (PubChem CID 79092822) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
PubChem CID79092822
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(CN(C)C)NCC
InChIInChI=1S/C13H30N2/c1-5-7-8-9-10-11-13(14-6-2)12-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyCOTQDTNXMFFMIA-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

2-N-ethyl-1-N,1-N-dimethylhexane-1,2-diamine
CID 79092726
1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
CID 79089113
N-ethyltetradecan-7-amine
CID 87847195
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552
N-ethylhexadecan-4-amine
CID 63413885
N-ethylnonan-3-amine
CID 60996683
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CID 79405026
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyl-2-methyldodecan-4-amine
CID 63412709
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine (CID 79092822) is 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine is CCCCCCCC(CN(C)C)NCC.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine?
The InChIKey is COTQDTNXMFFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-7-8-9-10-11-13(14-6-2)12-15(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethylnonane-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 2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine is sourced from PubChem (CID 79092822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).