(E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine

C9H21N3 — CID 146393024

IUPAC(E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine
SMILESCCN/C(C)=C(/N)C(C)N(C)C
InChIInChI=1S/C9H21N3/c1-6-11-7(2)9(10)8(3)12(4)5/h8,11H,6,10H2,1-5H3/b9-7+
InChIKeyAQSYXWHLRXHOFH-VQHVLOKHSA-N
MW171.29 g/mol
LogP0.74
Rot. Bonds4

About (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine

(E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine (PubChem CID 146393024) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine.

Molecular Properties

Compound Name(E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine
PubChem CID146393024
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine
SMILESCCN/C(C)=C(/N)C(C)N(C)C
InChIInChI=1S/C9H21N3/c1-6-11-7(2)9(10)8(3)12(4)5/h8,11H,6,10H2,1-5H3/b9-7+
InChIKeyAQSYXWHLRXHOFH-VQHVLOKHSA-N
XLogP0.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-N-ethyl-3-fluoropent-2-ene-1,2-diamine
CID 156569840
(E)-4-piperazin-1-ylhex-3-en-3-amine
CID 67594520
5-N,1-dimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 68391381
4-Piperazin-1-ylhex-3-en-3-amine
CID 69293290
4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine
CID 90075920
N,N,2-trimethyl-1,2,3,6-tetrahydropyridin-5-amine
CID 124018930
4-N,5-N,1-trimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 129018663
1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine
CID 129045485
N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine
CID 129163925
4-N,1-dimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 130216522
4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine
CID 130216754
(Z)-2-N,4-N-diethyl-4-N,3-dimethylpent-2-ene-2,4-diamine
CID 130267391

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine?
The IUPAC name of (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine (CID 146393024) is (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine.
What is the SMILES notation for (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine?
The canonical SMILES for (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine is CCN/C(C)=C(/N)C(C)N(C)C.
What is the InChIKey of (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine?
The InChIKey is AQSYXWHLRXHOFH-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H21N3/c1-6-11-7(2)9(10)8(3)12(4)5/h8,11H,6,10H2,1-5H3/b9-7+.
What are the key properties of (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine?
(E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine has a molecular weight of 171.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-ethyl-4-N,4-N-dimethylpent-2-ene-2,3,4-triamine is sourced from PubChem (CID 146393024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).