3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine

C10H22N2 — CID 79053616

IUPAC3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine
SMILESC=CC(NCC)C(C)(C)N(C)C
InChIInChI=1S/C10H22N2/c1-7-9(11-8-2)10(3,4)12(5)6/h7,9,11H,1,8H2,2-6H3
InChIKeyGAURPMZONMBYBV-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds5

About 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine

3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine (PubChem CID 79053616) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine
PubChem CID79053616
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine
SMILESC=CC(NCC)C(C)(C)N(C)C
InChIInChI=1S/C10H22N2/c1-7-9(11-8-2)10(3,4)12(5)6/h7,9,11H,1,8H2,2-6H3
InChIKeyGAURPMZONMBYBV-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl-2 methylphenylenediamine
CID 70422147
N-ethyl-4-methylpent-1-en-3-amine
CID 17800489
2,5,5-Trimethyl-1-prop-2-enylpiperazine
CID 20612347
2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine
CID 21326437
4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine
CID 23177078
2-Allylmethylamino-2-methylpropylamine
CID 55284641
N-ethyl-3-methylpent-1-en-3-amine
CID 55286067
4-methyl-N-propan-2-ylpent-1-en-3-amine
CID 55287465
(3S)-4-methyl-N-prop-2-enylpent-1-en-3-amine
CID 57918630
1-Tert-butyl-2,3,6,7-tetrahydroazepin-3-amine
CID 58076631
N2,N2,2-Trimethyl-N1-2-propen-1-yl-1,2-propanediamine
CID 60695003
N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439179

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
The IUPAC name of 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine (CID 79053616) is 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
The canonical SMILES for 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine is C=CC(NCC)C(C)(C)N(C)C.
What is the InChIKey of 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
The InChIKey is GAURPMZONMBYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-7-9(11-8-2)10(3,4)12(5)6/h7,9,11H,1,8H2,2-6H3.
What are the key properties of 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-2-N,2-N,2-trimethylpent-4-ene-2,3-diamine is sourced from PubChem (CID 79053616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).