3-(azetidin-3-ylamino)-4-methoxybutan-1-ol

C8H18N2O2 — CID 106156395

IUPAC3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC1CNC1
InChIInChI=1S/C8H18N2O2/c1-12-6-7(2-3-11)10-8-4-9-5-8/h7-11H,2-6H2,1H3
InChIKeyVHSTYYSPLZTHEX-UHFFFAOYSA-N
MW174.24 g/mol
LogP-1.05
Rot. Bonds6

About 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol

3-(azetidin-3-ylamino)-4-methoxybutan-1-ol (PubChem CID 106156395) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
PubChem CID106156395
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC1CNC1
InChIInChI=1S/C8H18N2O2/c1-12-6-7(2-3-11)10-8-4-9-5-8/h7-11H,2-6H2,1H3
InChIKeyVHSTYYSPLZTHEX-UHFFFAOYSA-N
XLogP-1.05
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 104844749
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 106162234
4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol
CID 106159687
4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 104530239
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol
CID 106157163
N-(4-hydroxy-1-methoxybutan-2-yl)-2-morpholin-2-ylacetamide
CID 114151968
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-4-methoxybutan-1-ol
CID 114151388
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-morpholin-4-ylethanone
CID 106159597
methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106162253

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol?
The IUPAC name of 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol (CID 106156395) is 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol?
The canonical SMILES for 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol is COCC(CCO)NC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol?
The InChIKey is VHSTYYSPLZTHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-12-6-7(2-3-11)10-8-4-9-5-8/h7-11H,2-6H2,1H3.
What are the key properties of 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol?
3-(azetidin-3-ylamino)-4-methoxybutan-1-ol has a molecular weight of 174.24 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylamino)-4-methoxybutan-1-ol is sourced from PubChem (CID 106156395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).