(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine

C20H34N2 — CID 129066207

IUPAC(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine
SMILESC=C(/C=C(/C)N(C)C(=C\C(C)C)/C(=C/C)/C=N/C)CCCC
InChIInChI=1S/C20H34N2/c1-9-11-12-17(5)14-18(6)22(8)20(13-16(3)4)19(10-2)15-21-7/h10,13-16H,5,9,11-12H2,1-4,6-8H3/b18-14-,19-10+,20-13-,21-15+
InChIKeyXXYWBOOOVRUDNM-XDRIVZBXSA-N
MW302.51 g/mol
LogP5.76
Rot. Bonds9

About (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine

(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine (PubChem CID 129066207) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine
PubChem CID129066207
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine
SMILESC=C(/C=C(/C)N(C)C(=C\C(C)C)/C(=C/C)/C=N/C)CCCC
InChIInChI=1S/C20H34N2/c1-9-11-12-17(5)14-18(6)22(8)20(13-16(3)4)19(10-2)15-21-7/h10,13-16H,5,9,11-12H2,1-4,6-8H3/b18-14-,19-10+,20-13-,21-15+
InChIKeyXXYWBOOOVRUDNM-XDRIVZBXSA-N
XLogP5.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.76
H-Bond Donors ≤ 50
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 (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine (CID 129066207) is (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine is C=C(/C=C(/C)N(C)C(=C\C(C)C)/C(=C/C)/C=N/C)CCCC.
What is the InChIKey of (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine?
The InChIKey is XXYWBOOOVRUDNM-XDRIVZBXSA-N. The full InChI is InChI=1S/C20H34N2/c1-9-11-12-17(5)14-18(6)22(8)20(13-16(3)4)19(10-2)15-21-7/h10,13-16H,5,9,11-12H2,1-4,6-8H3/b18-14-,19-10+,20-13-,21-15+.
What are the key properties of (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine?
(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine has a molecular weight of 302.51 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine is sourced from PubChem (CID 129066207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).