ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine

C16H29N3 — CID 143348610

IUPACethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine
SMILESC=C/C=C(\C=C(/C=C\C)NC)C1CN(C)CN1.CC
InChIInChI=1S/C14H23N3.C2H6/c1-5-7-12(9-13(15-3)8-6-2)14-10-17(4)11-16-14;1-2/h5-9,14-16H,1,10-11H2,2-4H3;1-2H3/b8-6-,12-7+,13-9+;
InChIKeyRBXJHMZZEGBASU-NSMATUKASA-N
MW263.43 g/mol
LogP2.67
Rot. Bonds5

About ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine

ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine (PubChem CID 143348610) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine.

Molecular Properties

Compound Nameethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine
PubChem CID143348610
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Nameethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine
SMILESC=C/C=C(\C=C(/C=C\C)NC)C1CN(C)CN1.CC
InChIInChI=1S/C14H23N3.C2H6/c1-5-7-12(9-13(15-3)8-6-2)14-10-17(4)11-16-14;1-2/h5-9,14-16H,1,10-11H2,2-4H3;1-2H3/b8-6-,12-7+,13-9+;
InChIKeyRBXJHMZZEGBASU-NSMATUKASA-N
XLogP2.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine?
The IUPAC name of ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine (CID 143348610) is ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine.
What is the SMILES notation for ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine?
The canonical SMILES for ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine is C=C/C=C(\C=C(/C=C\C)NC)C1CN(C)CN1.CC.
What is the InChIKey of ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine?
The InChIKey is RBXJHMZZEGBASU-NSMATUKASA-N. The full InChI is InChI=1S/C14H23N3.C2H6/c1-5-7-12(9-13(15-3)8-6-2)14-10-17(4)11-16-14;1-2/h5-9,14-16H,1,10-11H2,2-4H3;1-2H3/b8-6-,12-7+,13-9+;.
What are the key properties of ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine?
ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine has a molecular weight of 263.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E,6E)-N-methyl-6-(1-methylimidazolidin-4-yl)nona-2,4,6,8-tetraen-4-amine is sourced from PubChem (CID 143348610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).