1,1-bis(oxolan-2-ylmethylamino)propan-2-ol

C13H26N2O3 — CID 90119922

IUPAC1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
SMILESCC(O)C(NCC1CCCO1)NCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-10(16)13(14-8-11-4-2-6-17-11)15-9-12-5-3-7-18-12/h10-16H,2-9H2,1H3
InChIKeyUKJJDVXRBIYHSM-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.23
Rot. Bonds7

About 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol

1,1-bis(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 90119922) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID90119922
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
SMILESCC(O)C(NCC1CCCO1)NCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-10(16)13(14-8-11-4-2-6-17-11)15-9-12-5-3-7-18-12/h10-16H,2-9H2,1H3
InChIKeyUKJJDVXRBIYHSM-UHFFFAOYSA-N
XLogP0.23
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol (CID 90119922) is 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol is CC(O)C(NCC1CCCO1)NCC1CCCO1.
What is the InChIKey of 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is UKJJDVXRBIYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(16)13(14-8-11-4-2-6-17-11)15-9-12-5-3-7-18-12/h10-16H,2-9H2,1H3.
What are the key properties of 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol?
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 258.36 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 90119922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).