4-cyclobutyl-4-(methylamino)butan-1-ol

C9H19NO — CID 116953044

IUPAC4-cyclobutyl-4-(methylamino)butan-1-ol
SMILESCNC(CCCO)C1CCC1
InChIInChI=1S/C9H19NO/c1-10-9(6-3-7-11)8-4-2-5-8/h8-11H,2-7H2,1H3
InChIKeyPCQCOLYPPVDENF-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds5

About 4-cyclobutyl-4-(methylamino)butan-1-ol

4-cyclobutyl-4-(methylamino)butan-1-ol (PubChem CID 116953044) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-cyclobutyl-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-cyclobutyl-4-(methylamino)butan-1-ol
PubChem CID116953044
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-cyclobutyl-4-(methylamino)butan-1-ol
SMILESCNC(CCCO)C1CCC1
InChIInChI=1S/C9H19NO/c1-10-9(6-3-7-11)8-4-2-5-8/h8-11H,2-7H2,1H3
InChIKeyPCQCOLYPPVDENF-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114856649
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1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
3-(methylamino)-3-piperidin-4-ylpropan-1-ol
CID 71647995
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106727336
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
4-(cyclopentylamino)pentan-1-ol
CID 75356492
1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine
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(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-4-(methylamino)butan-1-ol?
The IUPAC name of 4-cyclobutyl-4-(methylamino)butan-1-ol (CID 116953044) is 4-cyclobutyl-4-(methylamino)butan-1-ol.
What is the SMILES notation for 4-cyclobutyl-4-(methylamino)butan-1-ol?
The canonical SMILES for 4-cyclobutyl-4-(methylamino)butan-1-ol is CNC(CCCO)C1CCC1.
What is the InChIKey of 4-cyclobutyl-4-(methylamino)butan-1-ol?
The InChIKey is PCQCOLYPPVDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-10-9(6-3-7-11)8-4-2-5-8/h8-11H,2-7H2,1H3.
What are the key properties of 4-cyclobutyl-4-(methylamino)butan-1-ol?
4-cyclobutyl-4-(methylamino)butan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-4-(methylamino)butan-1-ol is sourced from PubChem (CID 116953044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).