(3S,4S,6S)-4,6-dimethyloxan-3-amine

C7H15NO — CID 118041505

IUPAC(3S,4S,6S)-4,6-dimethyloxan-3-amine
SMILESC[C@H]1C[C@H](C)[C@H](N)CO1
InChIInChI=1S/C7H15NO/c1-5-3-6(2)9-4-7(5)8/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyOARHLSVYNPWXDW-LYFYHCNISA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds

About (3S,4S,6S)-4,6-dimethyloxan-3-amine

(3S,4S,6S)-4,6-dimethyloxan-3-amine (PubChem CID 118041505) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S,4S,6S)-4,6-dimethyloxan-3-amine.

Molecular Properties

Compound Name(3S,4S,6S)-4,6-dimethyloxan-3-amine
PubChem CID118041505
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S,4S,6S)-4,6-dimethyloxan-3-amine
SMILESC[C@H]1C[C@H](C)[C@H](N)CO1
InChIInChI=1S/C7H15NO/c1-5-3-6(2)9-4-7(5)8/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyOARHLSVYNPWXDW-LYFYHCNISA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S,6S)-4,6-dimethyloxan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

CID 81852973
CID 81852973
CID 146082021
CID 146082021
CID 71757940
CID 71757940
CID 139026481
CID 139026481
CID 59938457
CID 59938457
CID 129076842
CID 129076842
CID 130115957
CID 130115957
CID 142537579
CID 142537579
CID 144979123
CID 144979123
CID 153681054
CID 153681054
CID 56828166
CID 56828166
CID 115012674
CID 115012674

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-4,6-dimethyloxan-3-amine?
The IUPAC name of (3S,4S,6S)-4,6-dimethyloxan-3-amine (CID 118041505) is (3S,4S,6S)-4,6-dimethyloxan-3-amine.
What is the SMILES notation for (3S,4S,6S)-4,6-dimethyloxan-3-amine?
The canonical SMILES for (3S,4S,6S)-4,6-dimethyloxan-3-amine is C[C@H]1C[C@H](C)[C@H](N)CO1.
What is the InChIKey of (3S,4S,6S)-4,6-dimethyloxan-3-amine?
The InChIKey is OARHLSVYNPWXDW-LYFYHCNISA-N. The full InChI is InChI=1S/C7H15NO/c1-5-3-6(2)9-4-7(5)8/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1.
What are the key properties of (3S,4S,6S)-4,6-dimethyloxan-3-amine?
(3S,4S,6S)-4,6-dimethyloxan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-4,6-dimethyloxan-3-amine is sourced from PubChem (CID 118041505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).