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

C11H24N2O — CID 170255272

IUPAC3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol
SMILESCN(CCCO)C1CN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-8-10(9-13)12(4)6-5-7-14/h10,14H,5-9H2,1-4H3
InChIKeyKKUYKLOVFZVPSC-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds4

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

3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol (PubChem CID 170255272) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol
PubChem CID170255272
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol
SMILESCN(CCCO)C1CN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-8-10(9-13)12(4)6-5-7-14/h10,14H,5-9H2,1-4H3
InChIKeyKKUYKLOVFZVPSC-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid
CID 175339659
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
6-[cyclopropyl(methyl)amino]hexan-1-ol
CID 103737798
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
3-[(1-tert-butylazetidin-3-yl)methyl-ethylamino]propan-1-ol
CID 170257225
4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol
CID 91251733
2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile
CID 170255267
4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
CID 79120512
3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol
CID 111543956
4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide
CID 118531389
2-[[(3S)-1-tert-butyl-5,5-dimethylpyrrolidin-3-yl]-methylamino]ethanol
CID 168821030
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol (CID 170255272) is 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol is CN(CCCO)C1CN(C(C)(C)C)C1.
What is the InChIKey of 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol?
The InChIKey is KKUYKLOVFZVPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)13-8-10(9-13)12(4)6-5-7-14/h10,14H,5-9H2,1-4H3.
What are the key properties of 3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol?
3-[(1-tert-butylazetidin-3-yl)-methylamino]propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 4 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)-methylamino]propan-1-ol is sourced from PubChem (CID 170255272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).