2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine

C9H21N3 — CID 174686343

IUPAC2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine
SMILESC=CCC(NC)(NC)C(C)NC
InChIInChI=1S/C9H21N3/c1-6-7-9(11-4,12-5)8(2)10-3/h6,8,10-12H,1,7H2,2-5H3
InChIKeyLITGMNJIRXBQHE-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.31
Rot. Bonds6

About 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine

2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine (PubChem CID 174686343) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine.

Molecular Properties

Compound Name2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine
PubChem CID174686343
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine
SMILESC=CCC(NC)(NC)C(C)NC
InChIInChI=1S/C9H21N3/c1-6-7-9(11-4,12-5)8(2)10-3/h6,8,10-12H,1,7H2,2-5H3
InChIKeyLITGMNJIRXBQHE-UHFFFAOYSA-N
XLogP0.31
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine
CID 174343884
3-amino-2-methylhex-5-en-3-ol
CID 87728442
2-(hydroxymethyl)-3-methyl-2-prop-2-enylbutane-1,4-diol
CID 87261252
N,3,3-trimethylhexa-1,5-dien-2-amine
CID 129082840
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
4-ethyl-4,8-dimethylnon-1-ene
CID 23657619
N-ethenyl-3,4,4-trimethylhepta-1,6-dien-2-amine
CID 167078511
(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol
CID 155337272
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
N,2-dimethyl-2-prop-2-enylpent-4-en-1-amine
CID 153496767
3,3-dimethylhex-5-en-2-amine
CID 130019272

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine?
The IUPAC name of 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine (CID 174686343) is 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine.
What is the SMILES notation for 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine?
The canonical SMILES for 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine is C=CCC(NC)(NC)C(C)NC.
What is the InChIKey of 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine?
The InChIKey is LITGMNJIRXBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-6-7-9(11-4,12-5)8(2)10-3/h6,8,10-12H,1,7H2,2-5H3.
What are the key properties of 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine?
2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine has a molecular weight of 171.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine is sourced from PubChem (CID 174686343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).