N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine

C13H24N2 — CID 89324984

IUPACN,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
SMILESC=C/C=C(\C=C/C)CN(C)CCN(C)C
InChIInChI=1S/C13H24N2/c1-6-8-13(9-7-2)12-15(5)11-10-14(3)4/h6-9H,1,10-12H2,2-5H3/b9-7-,13-8+
InChIKeyZDWBAEUBERLTTE-OKFFXAGVSA-N
MW208.35 g/mol
LogP2.17
Rot. Bonds7

About N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine (PubChem CID 89324984) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
PubChem CID89324984
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
SMILESC=C/C=C(\C=C/C)CN(C)CCN(C)C
InChIInChI=1S/C13H24N2/c1-6-8-13(9-7-2)12-15(5)11-10-14(3)4/h6-9H,1,10-12H2,2-5H3/b9-7-,13-8+
InChIKeyZDWBAEUBERLTTE-OKFFXAGVSA-N
XLogP2.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.17
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

2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
2-Diethylaminomethylphenyllithium
CID 21399648
2-[(Diethylamino)methyl]phenylmagnesium bromide, 0.25M in THF
CID 57533218
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-[(2Z,4Z)-1-fluoro-4-methylhexa-2,4-dienyl]-4-methyl-1,4-diazepane
CID 132199044
N',N'-diethyl-N-methyl-N-[(3Z,5Z)-5-methyl-7-(trifluoromethyl)octa-3,5,7-trienyl]ethane-1,2-diamine
CID 138564568
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220
N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine
CID 139566303
N-ethyl-N'-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 143251444
N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
CID 143566790

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine (CID 89324984) is N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine is C=C/C=C(\C=C/C)CN(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
The InChIKey is ZDWBAEUBERLTTE-OKFFXAGVSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-8-13(9-7-2)12-15(5)11-10-14(3)4/h6-9H,1,10-12H2,2-5H3/b9-7-,13-8+.
What are the key properties of N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine is sourced from PubChem (CID 89324984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).