N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine

C11H18N2 — CID 155052430

IUPACN'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C=C(/C=C\C=C)N(C)CCNC
InChIInChI=1S/C11H18N2/c1-5-7-8-11(6-2)13(4)10-9-12-3/h5,7-8,12H,1-2,9-10H2,3-4H3/b8-7-
InChIKeyUWUCSEPWBHUYQN-FPLPWBNLSA-N
MW178.28 g/mol
LogP1.55
Rot. Bonds6

About N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine

N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 155052430) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID155052430
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C=C(/C=C\C=C)N(C)CCNC
InChIInChI=1S/C11H18N2/c1-5-7-8-11(6-2)13(4)10-9-12-3/h5,7-8,12H,1-2,9-10H2,3-4H3/b8-7-
InChIKeyUWUCSEPWBHUYQN-FPLPWBNLSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine (CID 155052430) is N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine is C=C=C(/C=C\C=C)N(C)CCNC.
What is the InChIKey of N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is UWUCSEPWBHUYQN-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-8-11(6-2)13(4)10-9-12-3/h5,7-8,12H,1-2,9-10H2,3-4H3/b8-7-.
What are the key properties of N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 155052430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).