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

C13H23N3 — CID 142170700

IUPACN,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine
SMILESC=C(/C=N/C(=C)N(C)CCNC)/C(C)=C/C
InChIInChI=1S/C13H23N3/c1-7-11(2)12(3)10-15-13(4)16(6)9-8-14-5/h7,10,14H,3-4,8-9H2,1-2,5-6H3/b11-7+,15-10-
InChIKeyJYMRPUMXLBZBFQ-OVJOMLMPSA-N
MW221.35 g/mol
LogP2.20
Rot. Bonds7

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

N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine (PubChem CID 142170700) has the molecular formula C13H23N3 and a molecular weight of 221.35 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.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine
PubChem CID142170700
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine
SMILESC=C(/C=N/C(=C)N(C)CCNC)/C(C)=C/C
InChIInChI=1S/C13H23N3/c1-7-11(2)12(3)10-15-13(4)16(6)9-8-14-5/h7,10,14H,3-4,8-9H2,1-2,5-6H3/b11-7+,15-10-
InChIKeyJYMRPUMXLBZBFQ-OVJOMLMPSA-N
XLogP2.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.20
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?
The IUPAC name of N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine (CID 142170700) is N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine.
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?
The canonical SMILES for N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine is C=C(/C=N/C(=C)N(C)CCNC)/C(C)=C/C.
What is the InChIKey of N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine?
The InChIKey is JYMRPUMXLBZBFQ-OVJOMLMPSA-N. The full InChI is InChI=1S/C13H23N3/c1-7-11(2)12(3)10-15-13(4)16(6)9-8-14-5/h7,10,14H,3-4,8-9H2,1-2,5-6H3/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?
N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.20, 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 is sourced from PubChem (CID 142170700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).