1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol

C8H17NO2 — CID 130502696

IUPAC1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
SMILESCC(CO)NCC1(O)CCC1
InChIInChI=1S/C8H17NO2/c1-7(5-10)9-6-8(11)3-2-4-8/h7,9-11H,2-6H2,1H3
InChIKeyPWXSZTVVSXRMMR-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.13
Rot. Bonds4

About 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol

1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol (PubChem CID 130502696) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
PubChem CID130502696
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
SMILESCC(CO)NCC1(O)CCC1
InChIInChI=1S/C8H17NO2/c1-7(5-10)9-6-8(11)3-2-4-8/h7,9-11H,2-6H2,1H3
InChIKeyPWXSZTVVSXRMMR-UHFFFAOYSA-N
XLogP-0.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
CID 64643391
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
1-[[1-(diethylamino)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65211000
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
CID 115718567
1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol (CID 130502696) is 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol is CC(CO)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is PWXSZTVVSXRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(5-10)9-6-8(11)3-2-4-8/h7,9-11H,2-6H2,1H3.
What are the key properties of 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol?
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 159.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 130502696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).