(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine

C15H26N2 — CID 176678327

IUPAC(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine
SMILESC=C(C)C(/C=C\C)=C(\N)N(C=C(C)C)CCC
InChIInChI=1S/C15H26N2/c1-7-9-14(13(5)6)15(16)17(10-8-2)11-12(3)4/h7,9,11H,5,8,10,16H2,1-4,6H3/b9-7-,15-14+
InChIKeyHEUHBDKNLMXOMP-DKWVFZHTSA-N
MW234.39 g/mol
LogP3.94
Rot. Bonds6

About (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine

(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine (PubChem CID 176678327) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine
PubChem CID176678327
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine
SMILESC=C(C)C(/C=C\C)=C(\N)N(C=C(C)C)CCC
InChIInChI=1S/C15H26N2/c1-7-9-14(13(5)6)15(16)17(10-8-2)11-12(3)4/h7,9,11H,5,8,10,16H2,1-4,6H3/b9-7-,15-14+
InChIKeyHEUHBDKNLMXOMP-DKWVFZHTSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine
CID 143502750
[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine
CID 89224636
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
Methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium
CID 123927784
2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine
CID 129272968
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
CID 130347219
N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine
CID 134525395
(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine
CID 134594210
1,3-Dimethylazepin-2-amine
CID 141023883
1-Ethyl-3-methylazepin-2-amine
CID 141545783
ethane;N'-ethyl-N'-[(Z,2E)-2-ethylidenepent-3-enyl]methanediamine
CID 141892261

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine?
The IUPAC name of (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine (CID 176678327) is (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine?
The canonical SMILES for (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine is C=C(C)C(/C=C\C)=C(\N)N(C=C(C)C)CCC.
What is the InChIKey of (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine?
The InChIKey is HEUHBDKNLMXOMP-DKWVFZHTSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-9-14(13(5)6)15(16)17(10-8-2)11-12(3)4/h7,9,11H,5,8,10,16H2,1-4,6H3/b9-7-,15-14+.
What are the key properties of (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine?
(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine is sourced from PubChem (CID 176678327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).