(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine

C9H19NO — CID 142180786

IUPAC(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine
SMILESCO/C(=C\C(C)C(C)C)CN
InChIInChI=1S/C9H19NO/c1-7(2)8(3)5-9(6-10)11-4/h5,7-8H,6,10H2,1-4H3/b9-5-
InChIKeyBHFMQTPNHZEWDM-UITAMQMPSA-N
MW157.26 g/mol
LogP1.77
Rot. Bonds4

About (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine

(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine (PubChem CID 142180786) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine
PubChem CID142180786
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine
SMILESCO/C(=C\C(C)C(C)C)CN
InChIInChI=1S/C9H19NO/c1-7(2)8(3)5-9(6-10)11-4/h5,7-8H,6,10H2,1-4H3/b9-5-
InChIKeyBHFMQTPNHZEWDM-UITAMQMPSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine?
The IUPAC name of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine (CID 142180786) is (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine.
What is the SMILES notation for (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine?
The canonical SMILES for (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine is CO/C(=C\C(C)C(C)C)CN.
What is the InChIKey of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine?
The InChIKey is BHFMQTPNHZEWDM-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)8(3)5-9(6-10)11-4/h5,7-8H,6,10H2,1-4H3/b9-5-.
What are the key properties of (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine?
(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine is sourced from PubChem (CID 142180786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).