ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine

C19H38N2 — CID 142234018

IUPACethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESC=C/C(CN(C)CCCN(C)C)=C(\C=C/C)C(C)C.CC
InChIInChI=1S/C17H32N2.C2H6/c1-8-11-17(15(3)4)16(9-2)14-19(7)13-10-12-18(5)6;1-2/h8-9,11,15H,2,10,12-14H2,1,3-7H3;1-2H3/b11-8-,17-16-;
InChIKeyRLYFGIMTPVKLCT-LZVIMLNASA-N
MW294.53 g/mol
LogP4.61
Rot. Bonds9

About ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine

ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 142234018) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Nameethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID142234018
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESC=C/C(CN(C)CCCN(C)C)=C(\C=C/C)C(C)C.CC
InChIInChI=1S/C17H32N2.C2H6/c1-8-11-17(15(3)4)16(9-2)14-19(7)13-10-12-18(5)6;1-2/h8-9,11,15H,2,10,12-14H2,1,3-7H3;1-2H3/b11-8-,17-16-;
InChIKeyRLYFGIMTPVKLCT-LZVIMLNASA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 142234018) is ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine is C=C/C(CN(C)CCCN(C)C)=C(\C=C/C)C(C)C.CC.
What is the InChIKey of ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is RLYFGIMTPVKLCT-LZVIMLNASA-N. The full InChI is InChI=1S/C17H32N2.C2H6/c1-8-11-17(15(3)4)16(9-2)14-19(7)13-10-12-18(5)6;1-2/h8-9,11,15H,2,10,12-14H2,1,3-7H3;1-2H3/b11-8-,17-16-;.
What are the key properties of ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine?
ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(2E,4Z)-2-ethenyl-3-propan-2-ylhexa-2,4-dienyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 142234018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).