(3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine

C12H25NO — CID 170002859

IUPAC(3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine
SMILESCCC/C(=C/OC)C(C)NC(C)CC
InChIInChI=1S/C12H25NO/c1-6-8-12(9-14-5)11(4)13-10(3)7-2/h9-11,13H,6-8H2,1-5H3/b12-9-
InChIKeyVKLOHLRLGYARMO-XFXZXTDPSA-N
MW199.34 g/mol
LogP3.09
Rot. Bonds7

About (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine

(3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine (PubChem CID 170002859) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine.

Molecular Properties

Compound Name(3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine
PubChem CID170002859
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine
SMILESCCC/C(=C/OC)C(C)NC(C)CC
InChIInChI=1S/C12H25NO/c1-6-8-12(9-14-5)11(4)13-10(3)7-2/h9-11,13H,6-8H2,1-5H3/b12-9-
InChIKeyVKLOHLRLGYARMO-XFXZXTDPSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-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 (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine?
The IUPAC name of (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine (CID 170002859) is (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine.
What is the SMILES notation for (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine?
The canonical SMILES for (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine is CCC/C(=C/OC)C(C)NC(C)CC.
What is the InChIKey of (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine?
The InChIKey is VKLOHLRLGYARMO-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-12(9-14-5)11(4)13-10(3)7-2/h9-11,13H,6-8H2,1-5H3/b12-9-.
What are the key properties of (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine?
(3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-butan-2-yl-3-(methoxymethylidene)hexan-2-amine is sourced from PubChem (CID 170002859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).