(2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine

C9H16N2 — CID 146650799

IUPAC(2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine
SMILES[H]/N=C/C(=C)CC/C=C\CNC
InChIInChI=1S/C9H16N2/c1-9(8-10)6-4-3-5-7-11-2/h3,5,8,10-11H,1,4,6-7H2,2H3/b5-3-,10-8+
InChIKeyICARIZQZYLRYFM-WEZLDLNLSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds6

About (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine

(2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine (PubChem CID 146650799) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine
PubChem CID146650799
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine
SMILES[H]/N=C/C(=C)CC/C=C\CNC
InChIInChI=1S/C9H16N2/c1-9(8-10)6-4-3-5-7-11-2/h3,5,8,10-11H,1,4,6-7H2,2H3/b5-3-,10-8+
InChIKeyICARIZQZYLRYFM-WEZLDLNLSA-N
XLogP1.75
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine?
The IUPAC name of (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine (CID 146650799) is (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine is [H]/N=C/C(=C)CC/C=C\CNC.
What is the InChIKey of (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine?
The InChIKey is ICARIZQZYLRYFM-WEZLDLNLSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(8-10)6-4-3-5-7-11-2/h3,5,8,10-11H,1,4,6-7H2,2H3/b5-3-,10-8+.
What are the key properties of (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine?
(2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methanimidoyl-N-methylhepta-2,6-dien-1-amine is sourced from PubChem (CID 146650799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).