(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine

C9H18N2 — CID 90075990

IUPAC(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine
SMILES[H]/N=C/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)8(5-10)9(11)7(3)4/h5-7,10H,11H2,1-4H3/b9-8+,10-5+
InChIKeyYYCWPBKZBISVLU-VZGHUFTCSA-N
MW154.26 g/mol
LogP2.16
Rot. Bonds3

About (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine

(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine (PubChem CID 90075990) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine
PubChem CID90075990
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine
SMILES[H]/N=C/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)8(5-10)9(11)7(3)4/h5-7,10H,11H2,1-4H3/b9-8+,10-5+
InChIKeyYYCWPBKZBISVLU-VZGHUFTCSA-N
XLogP2.16
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.16
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 (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine?
The IUPAC name of (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine (CID 90075990) is (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine.
What is the SMILES notation for (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine?
The canonical SMILES for (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine is [H]/N=C/C(=C(\N)C(C)C)C(C)C.
What is the InChIKey of (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine?
The InChIKey is YYCWPBKZBISVLU-VZGHUFTCSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)8(5-10)9(11)7(3)4/h5-7,10H,11H2,1-4H3/b9-8+,10-5+.
What are the key properties of (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine?
(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine has a molecular weight of 154.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine is sourced from PubChem (CID 90075990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).