N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane

C15H29N3 — CID 142170699

IUPACN,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane
SMILESC=C(/C=N\C(=C)N(C)CCNC)/C(C)=C/C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-7-11(2)12(3)10-15-13(4)16(6)9-8-14-5;1-2/h7,10,14H,3-4,8-9H2,1-2,5-6H3;1-2H3/b11-7+,15-10-;
InChIKeyFOBCAYFFHAYZNH-BSOYOXDHSA-N
MW251.42 g/mol
LogP3.23
Rot. Bonds7

About N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane

N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane (PubChem CID 142170699) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane
PubChem CID142170699
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane
SMILESC=C(/C=N\C(=C)N(C)CCNC)/C(C)=C/C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-7-11(2)12(3)10-15-13(4)16(6)9-8-14-5;1-2/h7,10,14H,3-4,8-9H2,1-2,5-6H3;1-2H3/b11-7+,15-10-;
InChIKeyFOBCAYFFHAYZNH-BSOYOXDHSA-N
XLogP3.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane?
The IUPAC name of N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane (CID 142170699) is N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane.
What is the SMILES notation for N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane?
The canonical SMILES for N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane is C=C(/C=N\C(=C)N(C)CCNC)/C(C)=C/C.CC.
What is the InChIKey of N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane?
The InChIKey is FOBCAYFFHAYZNH-BSOYOXDHSA-N. The full InChI is InChI=1S/C13H23N3.C2H6/c1-7-11(2)12(3)10-15-13(4)16(6)9-8-14-5;1-2/h7,10,14H,3-4,8-9H2,1-2,5-6H3;1-2H3/b11-7+,15-10-;.
What are the key properties of N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane?
N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane has a molecular weight of 251.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane is sourced from PubChem (CID 142170699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).