1-[(cyclobutylamino)methyl]cycloheptan-1-ol

C12H23NO — CID 62416530

IUPAC1-[(cyclobutylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCC2)CCCCCC1
InChIInChI=1S/C12H23NO/c14-12(8-3-1-2-4-9-12)10-13-11-6-5-7-11/h11,13-14H,1-10H2
InChIKeyPZSHVYJFKUGZBY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds3

About 1-[(cyclobutylamino)methyl]cycloheptan-1-ol

1-[(cyclobutylamino)methyl]cycloheptan-1-ol (PubChem CID 62416530) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(cyclobutylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(cyclobutylamino)methyl]cycloheptan-1-ol
PubChem CID62416530
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(cyclobutylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCC2)CCCCCC1
InChIInChI=1S/C12H23NO/c14-12(8-3-1-2-4-9-12)10-13-11-6-5-7-11/h11,13-14H,1-10H2
InChIKeyPZSHVYJFKUGZBY-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
CID 114817712
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclobutylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(cyclobutylamino)methyl]cycloheptan-1-ol (CID 62416530) is 1-[(cyclobutylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(cyclobutylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(cyclobutylamino)methyl]cycloheptan-1-ol is OC1(CNC2CCC2)CCCCCC1.
What is the InChIKey of 1-[(cyclobutylamino)methyl]cycloheptan-1-ol?
The InChIKey is PZSHVYJFKUGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c14-12(8-3-1-2-4-9-12)10-13-11-6-5-7-11/h11,13-14H,1-10H2.
What are the key properties of 1-[(cyclobutylamino)methyl]cycloheptan-1-ol?
1-[(cyclobutylamino)methyl]cycloheptan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclobutylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 62416530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).