N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine

C11H20N2 — CID 91160948

IUPACN'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine
SMILESC=CC=CC(=C)N(C)CCN(C)C
InChIInChI=1S/C11H20N2/c1-6-7-8-11(2)13(5)10-9-12(3)4/h6-8H,1-2,9-10H2,3-5H3
InChIKeyFHBJIVLKKMVRSM-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.74
Rot. Bonds6

About N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine

N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 91160948) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine
PubChem CID91160948
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine
SMILESC=CC=CC(=C)N(C)CCN(C)C
InChIInChI=1S/C11H20N2/c1-6-7-8-11(2)13(5)10-9-12(3)4/h6-8H,1-2,9-10H2,3-5H3
InChIKeyFHBJIVLKKMVRSM-UHFFFAOYSA-N
XLogP1.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethenyl-1-methyl-2H-pyridine
CID 22719088
1-Butyl-4-(dimethylamino)pyridine
CID 23048244
N'-[(3E)-5-chloro-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099565
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
N'-[(3E)-4,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099608
N'-[(3E)-3,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099623
N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine
CID 142234261
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 145468344
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314
N,N-diethylcyclooctatetraenamine
CID 134994848
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143287780

Frequently Asked Questions

What is the IUPAC name of N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine (CID 91160948) is N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine is C=CC=CC(=C)N(C)CCN(C)C.
What is the InChIKey of N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is FHBJIVLKKMVRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7-8-11(2)13(5)10-9-12(3)4/h6-8H,1-2,9-10H2,3-5H3.
What are the key properties of N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine?
N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 91160948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).