3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine

C7H15NO3 — CID 129395967

IUPAC3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine
SMILESNCCCOC[C@H]1COCO1
InChIInChI=1S/C7H15NO3/c8-2-1-3-9-4-7-5-10-6-11-7/h7H,1-6,8H2/t7-/m0/s1
InChIKeyVEEARWHPDMISGW-ZETCQYMHSA-N
MW161.20 g/mol
LogP-0.28
Rot. Bonds5

About 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine

3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine (PubChem CID 129395967) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine
PubChem CID129395967
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine
SMILESNCCCOC[C@H]1COCO1
InChIInChI=1S/C7H15NO3/c8-2-1-3-9-4-7-5-10-6-11-7/h7H,1-6,8H2/t7-/m0/s1
InChIKeyVEEARWHPDMISGW-ZETCQYMHSA-N
XLogP-0.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(oxiran-2-ylmethoxy)propylsilyl]propan-1-amine
CID 175540007
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175215443
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-(butoxymethyl)oxirane;N'-octadecylpropane-1,3-diamine
CID 90659639
CID 166063430
CID 166063430

Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine?
The IUPAC name of 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine (CID 129395967) is 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine.
What is the SMILES notation for 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine?
The canonical SMILES for 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine is NCCCOC[C@H]1COCO1.
What is the InChIKey of 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine?
The InChIKey is VEEARWHPDMISGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO3/c8-2-1-3-9-4-7-5-10-6-11-7/h7H,1-6,8H2/t7-/m0/s1.
What are the key properties of 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine?
3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine has a molecular weight of 161.20 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-1,3-dioxolan-4-yl]methoxy]propan-1-amine is sourced from PubChem (CID 129395967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).