1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine

C12H25NO3 — CID 102927878

IUPAC1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine
SMILESCOCCOCCC(N)CCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-14-9-10-15-8-6-11(13)4-5-12-3-2-7-16-12/h11-12H,2-10,13H2,1H3
InChIKeyKNAKJQHGXNQDIN-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds9

About 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine

1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine (PubChem CID 102927878) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine
PubChem CID102927878
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine
SMILESCOCCOCCC(N)CCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-14-9-10-15-8-6-11(13)4-5-12-3-2-7-16-12/h11-12H,2-10,13H2,1H3
InChIKeyKNAKJQHGXNQDIN-UHFFFAOYSA-N
XLogP1.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
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

1-(Oxolan-2-yl)propan-2-amine
CID 21843642
(3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine
CID 122365198
Tetrahydro-5-methyl-2-furanpropanamine
CID 55289661
6-(2-Methyl-1,3-dioxolan-2-yl)hexan-2-amine
CID 101504448
1-(Oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 103148153
1-(2,2-Difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine
CID 103149053
5-(2-Methoxyethoxy)hexan-2-amine
CID 54077966
4,5-Diethoxynonane-1,6-diamine
CID 56985529
1-(1,4-Dioxan-2-yl)hexan-1-amine
CID 56995343
3-Butoxy-8-hexoxydecane-1,6-diamine
CID 57226407
3,4-Didecoxybutan-1-amine
CID 59222414
1-(2-Methyl-1,3-dioxolan-2-yl)hexan-2-amine
CID 59602977

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine (CID 102927878) is 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine is COCCOCCC(N)CCC1CCCO1.
What is the InChIKey of 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine?
The InChIKey is KNAKJQHGXNQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-14-9-10-15-8-6-11(13)4-5-12-3-2-7-16-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine?
1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 102927878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).