(2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine

C12H22N2 — CID 147057622

IUPAC(2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine
SMILES[H]/N=C(C)/C(C)=C(/CC)CC/C=C(\C)N
InChIInChI=1S/C12H22N2/c1-5-12(10(3)11(4)14)8-6-7-9(2)13/h7,14H,5-6,8,13H2,1-4H3/b9-7+,12-10-,14-11+
InChIKeyBCNVPYUPNTTZAF-OLKBWKDPSA-N
MW194.32 g/mol
LogP3.40
Rot. Bonds5

About (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine

(2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine (PubChem CID 147057622) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine.

Molecular Properties

Compound Name(2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine
PubChem CID147057622
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine
SMILES[H]/N=C(C)/C(C)=C(/CC)CC/C=C(\C)N
InChIInChI=1S/C12H22N2/c1-5-12(10(3)11(4)14)8-6-7-9(2)13/h7,14H,5-6,8,13H2,1-4H3/b9-7+,12-10-,14-11+
InChIKeyBCNVPYUPNTTZAF-OLKBWKDPSA-N
XLogP3.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine?
The IUPAC name of (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine (CID 147057622) is (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine.
What is the SMILES notation for (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine?
The canonical SMILES for (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine is [H]/N=C(C)/C(C)=C(/CC)CC/C=C(\C)N.
What is the InChIKey of (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine?
The InChIKey is BCNVPYUPNTTZAF-OLKBWKDPSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-12(10(3)11(4)14)8-6-7-9(2)13/h7,14H,5-6,8,13H2,1-4H3/b9-7+,12-10-,14-11+.
What are the key properties of (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine?
(2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine has a molecular weight of 194.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine is sourced from PubChem (CID 147057622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).