N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine

C15H26N2 — CID 134424837

IUPACN',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C/C=C(\C=C/C)C(=C)NCCN(CC)CC
InChIInChI=1S/C15H26N2/c1-6-10-15(11-7-2)14(5)16-12-13-17(8-3)9-4/h6-7,10-11,16H,1,5,8-9,12-13H2,2-4H3/b11-7-,15-10+
InChIKeyODLSCKQRFVNIII-WIDALZHXSA-N
MW234.39 g/mol
LogP3.12
Rot. Bonds9

About N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine

N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (PubChem CID 134424837) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
PubChem CID134424837
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C/C=C(\C=C/C)C(=C)NCCN(CC)CC
InChIInChI=1S/C15H26N2/c1-6-10-15(11-7-2)14(5)16-12-13-17(8-3)9-4/h6-7,10-11,16H,1,5,8-9,12-13H2,2-4H3/b11-7-,15-10+
InChIKeyODLSCKQRFVNIII-WIDALZHXSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.12
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

(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene
CID 129274149
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
CID 134424280
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(5E,7E,9Z)-1-methyl-8-(trifluoromethyl)-1,4-diazacyclododeca-5,7,9-triene
CID 142152683
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920
1-(5-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 142930825
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 142956605
(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile
CID 142959114
butane;N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
CID 143043422

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (CID 134424837) is N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine is C=C/C=C(\C=C/C)C(=C)NCCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The InChIKey is ODLSCKQRFVNIII-WIDALZHXSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-10-15(11-7-2)14(5)16-12-13-17(8-3)9-4/h6-7,10-11,16H,1,5,8-9,12-13H2,2-4H3/b11-7-,15-10+.
What are the key properties of N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 134424837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).