(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine

C17H28N2 — CID 138528196

IUPAC(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine
SMILESC=C(CNC(C)C)CC(/C=C\C)=C/C=C/C/C=N/C
InChIInChI=1S/C17H28N2/c1-6-10-17(11-8-7-9-12-18-5)13-16(4)14-19-15(2)3/h6-8,10-12,15,19H,4,9,13-14H2,1-3,5H3/b8-7+,10-6-,17-11+,18-12+
InChIKeyNGJXPQISRQKFJL-HVJUUGTRSA-N
MW260.43 g/mol
LogP4.08
Rot. Bonds9

About (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine

(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine (PubChem CID 138528196) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine
PubChem CID138528196
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine
SMILESC=C(CNC(C)C)CC(/C=C\C)=C/C=C/C/C=N/C
InChIInChI=1S/C17H28N2/c1-6-10-17(11-8-7-9-12-18-5)13-16(4)14-19-15(2)3/h6-8,10-12,15,19H,4,9,13-14H2,1-3,5H3/b8-7+,10-6-,17-11+,18-12+
InChIKeyNGJXPQISRQKFJL-HVJUUGTRSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine?
The IUPAC name of (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine (CID 138528196) is (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine?
The canonical SMILES for (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine is C=C(CNC(C)C)CC(/C=C\C)=C/C=C/C/C=N/C.
What is the InChIKey of (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine?
The InChIKey is NGJXPQISRQKFJL-HVJUUGTRSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-10-17(11-8-7-9-12-18-5)13-16(4)14-19-15(2)3/h6-8,10-12,15,19H,4,9,13-14H2,1-3,5H3/b8-7+,10-6-,17-11+,18-12+.
What are the key properties of (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine?
(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine is sourced from PubChem (CID 138528196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).