(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine

C16H26N2 — CID 174032640

IUPAC(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine
SMILESC=C/C=C(/CC(C)/C=N/C)N(C)C(=C)/C(C)=C\C
InChIInChI=1S/C16H26N2/c1-8-10-16(11-13(3)12-17-6)18(7)15(5)14(4)9-2/h8-10,12-13H,1,5,11H2,2-4,6-7H3/b14-9-,16-10-,17-12+
InChIKeySUKXINNSFUYMOI-VEUCLFRSSA-N
MW246.40 g/mol
LogP4.19
Rot. Bonds7

About (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine

(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine (PubChem CID 174032640) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine.

Molecular Properties

Compound Name(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine
PubChem CID174032640
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine
SMILESC=C/C=C(/CC(C)/C=N/C)N(C)C(=C)/C(C)=C\C
InChIInChI=1S/C16H26N2/c1-8-10-16(11-13(3)12-17-6)18(7)15(5)14(4)9-2/h8-10,12-13H,1,5,11H2,2-4,6-7H3/b14-9-,16-10-,17-12+
InChIKeySUKXINNSFUYMOI-VEUCLFRSSA-N
XLogP4.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.19
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 (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine?
The IUPAC name of (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine (CID 174032640) is (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine.
What is the SMILES notation for (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine?
The canonical SMILES for (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine is C=C/C=C(/CC(C)/C=N/C)N(C)C(=C)/C(C)=C\C.
What is the InChIKey of (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine?
The InChIKey is SUKXINNSFUYMOI-VEUCLFRSSA-N. The full InChI is InChI=1S/C16H26N2/c1-8-10-16(11-13(3)12-17-6)18(7)15(5)14(4)9-2/h8-10,12-13H,1,5,11H2,2-4,6-7H3/b14-9-,16-10-,17-12+.
What are the key properties of (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine?
(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine has a molecular weight of 246.40 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine is sourced from PubChem (CID 174032640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).