1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine

C6H15N3 — CID 174631925

IUPAC1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine
SMILESCNC=CC(NC)NC
InChIInChI=1S/C6H15N3/c1-7-5-4-6(8-2)9-3/h4-9H,1-3H3
InChIKeyXOCPGOUKPCISBH-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.52
Rot. Bonds4

About 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine

1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine (PubChem CID 174631925) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine.

Molecular Properties

Compound Name1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine
PubChem CID174631925
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine
SMILESCNC=CC(NC)NC
InChIInChI=1S/C6H15N3/c1-7-5-4-6(8-2)9-3/h4-9H,1-3H3
InChIKeyXOCPGOUKPCISBH-UHFFFAOYSA-N
XLogP-0.52
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine
CID 88986996
(Z)-2-amino-4-(methylamino)but-3-en-1-ol
CID 89418510
(E)-3-ethyl-N-methylhex-1-en-1-amine
CID 146892153
N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide
CID 59881781
N-methyl-2-[2-(methylamino)ethenoxy]ethenamine
CID 87593312
(Z)-7-(methylamino)hept-6-ene-2-thiol
CID 134275161
(Z)-2-methoxy-N-methylethenamine
CID 59786651
1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine
CID 139316959
(1Z,3Z,5E)-N-methylhepta-1,3,5-trien-1-amine
CID 142183203
(E)-N'-tert-butyl-N-methylethene-1,2-diamine
CID 102011692
N-methylhepta-1,3,5-trien-1-amine
CID 59935590
2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol
CID 143885952

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine?
The IUPAC name of 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine (CID 174631925) is 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine.
What is the SMILES notation for 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine?
The canonical SMILES for 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine is CNC=CC(NC)NC.
What is the InChIKey of 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine?
The InChIKey is XOCPGOUKPCISBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-7-5-4-6(8-2)9-3/h4-9H,1-3H3.
What are the key properties of 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine?
1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine has a molecular weight of 129.21 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine is sourced from PubChem (CID 174631925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).