(E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine

C9H21N3 — CID 174686285

IUPAC(E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine
SMILESCC/C(NC)=C(\NC)C(C)NC
InChIInChI=1S/C9H21N3/c1-6-8(11-4)9(12-5)7(2)10-3/h7,10-12H,6H2,1-5H3/b9-8+
InChIKeyOEVIIJHMBNABNG-CMDGGOBGSA-N
MW171.29 g/mol
LogP0.65
Rot. Bonds5

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

(E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine (PubChem CID 174686285) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine.

Molecular Properties

Compound Name(E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine
PubChem CID174686285
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine
SMILESCC/C(NC)=C(\NC)C(C)NC
InChIInChI=1S/C9H21N3/c1-6-8(11-4)9(12-5)7(2)10-3/h7,10-12H,6H2,1-5H3/b9-8+
InChIKeyOEVIIJHMBNABNG-CMDGGOBGSA-N
XLogP0.65
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine
CID 139576018
(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine
CID 139576354
5,6-Di(propan-2-yl)-1,2,3,4-tetrahydropyrazine
CID 57632399
(E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine
CID 88918584
5-Methyl-6-propan-2-yl-1,2,3,4-tetrahydropyrazine
CID 89041221
4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine
CID 90075920
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine;ethane
CID 123241224
4-N,5-N,1-trimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 129018663
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
(E)-4-N,3-dimethyl-2-N-propylpent-2-ene-2,4-diamine
CID 130328862
(Z)-4-N,3-dimethylpent-2-ene-2,4-diamine
CID 134225088

Frequently Asked Questions

What is the IUPAC name of (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine?
The IUPAC name of (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine (CID 174686285) is (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine.
What is the SMILES notation for (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine?
The canonical SMILES for (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine is CC/C(NC)=C(\NC)C(C)NC.
What is the InChIKey of (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine?
The InChIKey is OEVIIJHMBNABNG-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H21N3/c1-6-8(11-4)9(12-5)7(2)10-3/h7,10-12H,6H2,1-5H3/b9-8+.
What are the key properties of (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine?
(E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine has a molecular weight of 171.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine is sourced from PubChem (CID 174686285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).