(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine

C7H16N2O — CID 131473374

IUPAC(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine
SMILESCN(C)C[C@@H]1COC[C@H]1N
InChIInChI=1S/C7H16N2O/c1-9(2)3-6-4-10-5-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyKZGZNDKRAMYHMQ-RNFRBKRXSA-N
MW144.22 g/mol
LogP-0.48
Rot. Bonds2

About (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine

(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine (PubChem CID 131473374) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine
PubChem CID131473374
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine
SMILESCN(C)C[C@@H]1COC[C@H]1N
InChIInChI=1S/C7H16N2O/c1-9(2)3-6-4-10-5-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyKZGZNDKRAMYHMQ-RNFRBKRXSA-N
XLogP-0.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine (CID 131473374) is (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine is CN(C)C[C@@H]1COC[C@H]1N.
What is the InChIKey of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine?
The InChIKey is KZGZNDKRAMYHMQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9(2)3-6-4-10-5-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine?
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine has a molecular weight of 144.22 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 131473374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).