1,3-bis(oxolan-2-yl)propan-2-amine

C11H21NO2 — CID 62601237

IUPAC1,3-bis(oxolan-2-yl)propan-2-amine
SMILESNC(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C11H21NO2/c12-9(7-10-3-1-5-13-10)8-11-4-2-6-14-11/h9-11H,1-8,12H2
InChIKeyUXZVINDLHZCMLU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds4

About 1,3-bis(oxolan-2-yl)propan-2-amine

1,3-bis(oxolan-2-yl)propan-2-amine (PubChem CID 62601237) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1,3-bis(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,3-bis(oxolan-2-yl)propan-2-amine
PubChem CID62601237
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1,3-bis(oxolan-2-yl)propan-2-amine
SMILESNC(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C11H21NO2/c12-9(7-10-3-1-5-13-10)8-11-4-2-6-14-11/h9-11H,1-8,12H2
InChIKeyUXZVINDLHZCMLU-UHFFFAOYSA-N
XLogP1.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-bis(oxolan-2-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(oxolan-2-yl)propan-2-amine
CID 64905481
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine
CID 115516320
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine
CID 129462699
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 62601063

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1,3-bis(oxolan-2-yl)propan-2-amine (CID 62601237) is 1,3-bis(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1,3-bis(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1,3-bis(oxolan-2-yl)propan-2-amine is NC(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 1,3-bis(oxolan-2-yl)propan-2-amine?
The InChIKey is UXZVINDLHZCMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-9(7-10-3-1-5-13-10)8-11-4-2-6-14-11/h9-11H,1-8,12H2.
What are the key properties of 1,3-bis(oxolan-2-yl)propan-2-amine?
1,3-bis(oxolan-2-yl)propan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 62601237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).