(3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine

C15H23N — CID 170143241

IUPAC(3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine
SMILESC=C(C)/C=C\C=C\NC(=C)/C=C\CC(C)C
InChIInChI=1S/C15H23N/c1-13(2)9-6-7-12-16-15(5)11-8-10-14(3)4/h6-9,11-12,14,16H,1,5,10H2,2-4H3/b9-6-,11-8-,12-7+
InChIKeyDLAUKPHYKBLJOQ-UPMKPVFUSA-N
MW217.36 g/mol
LogP4.34
Rot. Bonds7

About (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine

(3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine (PubChem CID 170143241) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine
PubChem CID170143241
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine
SMILESC=C(C)/C=C\C=C\NC(=C)/C=C\CC(C)C
InChIInChI=1S/C15H23N/c1-13(2)9-6-7-12-16-15(5)11-8-10-14(3)4/h6-9,11-12,14,16H,1,5,10H2,2-4H3/b9-6-,11-8-,12-7+
InChIKeyDLAUKPHYKBLJOQ-UPMKPVFUSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine (CID 170143241) is (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine is C=C(C)/C=C\C=C\NC(=C)/C=C\CC(C)C.
What is the InChIKey of (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine?
The InChIKey is DLAUKPHYKBLJOQ-UPMKPVFUSA-N. The full InChI is InChI=1S/C15H23N/c1-13(2)9-6-7-12-16-15(5)11-8-10-14(3)4/h6-9,11-12,14,16H,1,5,10H2,2-4H3/b9-6-,11-8-,12-7+.
What are the key properties of (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine?
(3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine has a molecular weight of 217.36 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine is sourced from PubChem (CID 170143241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).