1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol

C10H21NO2 — CID 115718567

IUPAC1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
SMILESCOC(C)C(C)NCC1(O)CCC1
InChIInChI=1S/C10H21NO2/c1-8(9(2)13-3)11-7-10(12)5-4-6-10/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKBECWGTUIQGLKD-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.91
Rot. Bonds5

About 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol

1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol (PubChem CID 115718567) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
PubChem CID115718567
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
SMILESCOC(C)C(C)NCC1(O)CCC1
InChIInChI=1S/C10H21NO2/c1-8(9(2)13-3)11-7-10(12)5-4-6-10/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKBECWGTUIQGLKD-UHFFFAOYSA-N
XLogP0.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 113481682
3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine
CID 115909205
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
CID 79398493
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696
1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine
CID 115706769
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine
CID 115892583
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol (CID 115718567) is 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol is COC(C)C(C)NCC1(O)CCC1.
What is the InChIKey of 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is KBECWGTUIQGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(9(2)13-3)11-7-10(12)5-4-6-10/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol?
1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115718567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).