3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol

C13H28N2O — CID 170257225

IUPAC3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-5-14(7-6-8-16)9-12-10-15(11-12)13(2,3)4/h12,16H,5-11H2,1-4H3
InChIKeySOQUVEGSLZPPFK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds6

About 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol

3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol (PubChem CID 170257225) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol
PubChem CID170257225
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-5-14(7-6-8-16)9-12-10-15(11-12)13(2,3)4/h12,16H,5-11H2,1-4H3
InChIKeySOQUVEGSLZPPFK-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol
CID 170255272
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 113469011
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
CID 115666180
2-[ethyl-[(4-propylcyclohexyl)methyl]amino]ethanol
CID 90928532
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64789438
6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64789640
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
2-[1-tert-butyl-5-(hydroxymethyl)piperidin-3-yl]ethanol
CID 171581121

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol (CID 170257225) is 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol is CCN(CCCO)CC1CN(C(C)(C)C)C1.
What is the InChIKey of 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol?
The InChIKey is SOQUVEGSLZPPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14(7-6-8-16)9-12-10-15(11-12)13(2,3)4/h12,16H,5-11H2,1-4H3.
What are the key properties of 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol?
3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 170257225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).