N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine

C19H25N — CID 129109409

IUPACN-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
SMILESC=C(/C=C\C=C/N(/C=C/C)C1=CCCC=C1)/C(C)=C/C
InChIInChI=1S/C19H25N/c1-5-15-20(19-13-8-7-9-14-19)16-11-10-12-18(4)17(3)6-2/h5-6,8,10-16H,4,7,9H2,1-3H3/b12-10-,15-5+,16-11-,17-6+
InChIKeyRMGOXVYFTIAKHW-QBPUZXAZSA-N
MW267.42 g/mol
LogP5.65
Rot. Bonds6

About N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine

N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine (PubChem CID 129109409) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
PubChem CID129109409
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
SMILESC=C(/C=C\C=C/N(/C=C/C)C1=CCCC=C1)/C(C)=C/C
InChIInChI=1S/C19H25N/c1-5-15-20(19-13-8-7-9-14-19)16-11-10-12-18(4)17(3)6-2/h5-6,8,10-16H,4,7,9H2,1-3H3/b12-10-,15-5+,16-11-,17-6+
InChIKeyRMGOXVYFTIAKHW-QBPUZXAZSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
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 N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine (CID 129109409) is N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine is C=C(/C=C\C=C/N(/C=C/C)C1=CCCC=C1)/C(C)=C/C.
What is the InChIKey of N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is RMGOXVYFTIAKHW-QBPUZXAZSA-N. The full InChI is InChI=1S/C19H25N/c1-5-15-20(19-13-8-7-9-14-19)16-11-10-12-18(4)17(3)6-2/h5-6,8,10-16H,4,7,9H2,1-3H3/b12-10-,15-5+,16-11-,17-6+.
What are the key properties of N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 267.42 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 129109409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).