(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine

C10H19NO2 — CID 130735391

IUPAC(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
SMILESC1COC[C@@H](NCC2CCOC2)C1
InChIInChI=1S/C10H19NO2/c1-2-10(8-12-4-1)11-6-9-3-5-13-7-9/h9-11H,1-8H2/t9?,10-/m0/s1
InChIKeyAEGUATCRGCBUSS-AXDSSHIGSA-N
MW185.27 g/mol
LogP0.79
Rot. Bonds3

About (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine

(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine (PubChem CID 130735391) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
PubChem CID130735391
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
SMILESC1COC[C@@H](NCC2CCOC2)C1
InChIInChI=1S/C10H19NO2/c1-2-10(8-12-4-1)11-6-9-3-5-13-7-9/h9-11H,1-8H2/t9?,10-/m0/s1
InChIKeyAEGUATCRGCBUSS-AXDSSHIGSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Oxolan-3-yl)morpholine
CID 91213446
N-[2-(2,2-difluoroethoxy)ethyl]-1-(oxolan-3-yl)ethanamine
CID 102978115
N-[(3-fluoropyrrolidin-3-yl)methyl]oxan-3-amine
CID 105454670
1-(oxolan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 115713525
1-(oxolan-3-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 116433672
(3R,4S)-4-fluoro-N-[(oxan-4-yl)methyl]oxolan-3-amine
CID 126847878
4-fluoro-N-[(oxolan-3-yl)methyl]oxolan-3-amine
CID 126856311
2-fluoro-N-[(oxolan-3-yl)methyl]oxan-3-amine
CID 126857079
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
(2-Methoxyethyl)[(oxan-4-yl)methyl]amine
CID 62385291
N-(3-methylbutyl)oxolan-3-amine
CID 63331464
N-(2-methylpropyl)oxan-3-amine
CID 63360040

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine?
The IUPAC name of (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine (CID 130735391) is (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine.
What is the SMILES notation for (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine?
The canonical SMILES for (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine is C1COC[C@@H](NCC2CCOC2)C1.
What is the InChIKey of (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine?
The InChIKey is AEGUATCRGCBUSS-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-10(8-12-4-1)11-6-9-3-5-13-7-9/h9-11H,1-8H2/t9?,10-/m0/s1.
What are the key properties of (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine?
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine has a molecular weight of 185.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(oxolan-3-ylmethyl)oxan-3-amine is sourced from PubChem (CID 130735391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).