3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine

C9H19NO2 — CID 43205123

IUPAC3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCOCCCNCC1CCOC1
InChIInChI=1S/C9H19NO2/c1-11-5-2-4-10-7-9-3-6-12-8-9/h9-10H,2-8H2,1H3
InChIKeyHPXJKPZAFCKGOW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.65
Rot. Bonds6

About 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine

3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 43205123) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID43205123
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCOCCCNCC1CCOC1
InChIInChI=1S/C9H19NO2/c1-11-5-2-4-10-7-9-3-6-12-8-9/h9-10H,2-8H2,1H3
InChIKeyHPXJKPZAFCKGOW-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
3-ethylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65092724
4-(oxolan-3-ylmethylamino)butanenitrile
CID 61040172
4-(oxolan-3-ylmethylamino)butanoic acid
CID 60782844
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine (CID 43205123) is 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine is COCCCNCC1CCOC1.
What is the InChIKey of 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is HPXJKPZAFCKGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-5-2-4-10-7-9-3-6-12-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine?
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 43205123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).