(4S)-4-(methoxymethyl)hexan-3-imine

C8H17NO — CID 174509406

IUPAC(4S)-4-(methoxymethyl)hexan-3-imine
SMILES[H]/N=C(\CC)[C@H](CC)COC
InChIInChI=1S/C8H17NO/c1-4-7(6-10-3)8(9)5-2/h7,9H,4-6H2,1-3H3/b9-8+/t7-/m1/s1
InChIKeySBEIBCOHRZKXTF-BDGYDECCSA-N
MW143.23 g/mol
LogP2.09
Rot. Bonds5

About (4S)-4-(methoxymethyl)hexan-3-imine

(4S)-4-(methoxymethyl)hexan-3-imine (PubChem CID 174509406) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)hexan-3-imine.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)hexan-3-imine
PubChem CID174509406
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S)-4-(methoxymethyl)hexan-3-imine
SMILES[H]/N=C(\CC)[C@H](CC)COC
InChIInChI=1S/C8H17NO/c1-4-7(6-10-3)8(9)5-2/h7,9H,4-6H2,1-3H3/b9-8+/t7-/m1/s1
InChIKeySBEIBCOHRZKXTF-BDGYDECCSA-N
XLogP2.09
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-(methoxymethyl)hexan-3-imine 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 (4S)-4-(methoxymethyl)hexan-3-imine?
The IUPAC name of (4S)-4-(methoxymethyl)hexan-3-imine (CID 174509406) is (4S)-4-(methoxymethyl)hexan-3-imine.
What is the SMILES notation for (4S)-4-(methoxymethyl)hexan-3-imine?
The canonical SMILES for (4S)-4-(methoxymethyl)hexan-3-imine is [H]/N=C(\CC)[C@H](CC)COC.
What is the InChIKey of (4S)-4-(methoxymethyl)hexan-3-imine?
The InChIKey is SBEIBCOHRZKXTF-BDGYDECCSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(6-10-3)8(9)5-2/h7,9H,4-6H2,1-3H3/b9-8+/t7-/m1/s1.
What are the key properties of (4S)-4-(methoxymethyl)hexan-3-imine?
(4S)-4-(methoxymethyl)hexan-3-imine has a molecular weight of 143.23 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)hexan-3-imine is sourced from PubChem (CID 174509406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).