(9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine

C21H34N2 — CID 166965996

IUPAC(9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine
SMILESC=C(/C=C\C)CCC(C(=C)/C=C\C)C(CC(=C)NC)N=C(C)C
InChIInChI=1S/C21H34N2/c1-9-11-17(5)13-14-20(18(6)12-10-2)21(23-16(3)4)15-19(7)22-8/h9-12,20-22H,5-7,13-15H2,1-4,8H3/b11-9-,12-10-
InChIKeyDHEPMBWSJBXYBC-HWAYABPNSA-N
MW314.52 g/mol
LogP5.62
Rot. Bonds11

About (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine

(9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine (PubChem CID 166965996) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine.

Molecular Properties

Compound Name(9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine
PubChem CID166965996
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name(9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine
SMILESC=C(/C=C\C)CCC(C(=C)/C=C\C)C(CC(=C)NC)N=C(C)C
InChIInChI=1S/C21H34N2/c1-9-11-17(5)13-14-20(18(6)12-10-2)21(23-16(3)4)15-19(7)22-8/h9-12,20-22H,5-7,13-15H2,1-4,8H3/b11-9-,12-10-
InChIKeyDHEPMBWSJBXYBC-HWAYABPNSA-N
XLogP5.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine?
The IUPAC name of (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine (CID 166965996) is (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine.
What is the SMILES notation for (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine?
The canonical SMILES for (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine is C=C(/C=C\C)CCC(C(=C)/C=C\C)C(CC(=C)NC)N=C(C)C.
What is the InChIKey of (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine?
The InChIKey is DHEPMBWSJBXYBC-HWAYABPNSA-N. The full InChI is InChI=1S/C21H34N2/c1-9-11-17(5)13-14-20(18(6)12-10-2)21(23-16(3)4)15-19(7)22-8/h9-12,20-22H,5-7,13-15H2,1-4,8H3/b11-9-,12-10-.
What are the key properties of (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine?
(9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine has a molecular weight of 314.52 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine is sourced from PubChem (CID 166965996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).