1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol

C12H23NO — CID 65082633

IUPAC1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(CNC2CC2)CC1
InChIInChI=1S/C12H23NO/c1-10-3-2-7-12(14,8-6-10)9-13-11-4-5-11/h10-11,13-14H,2-9H2,1H3
InChIKeyGHGBTTSUOOXYQF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds3

About 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol

1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol (PubChem CID 65082633) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
PubChem CID65082633
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(CNC2CC2)CC1
InChIInChI=1S/C12H23NO/c1-10-3-2-7-12(14,8-6-10)9-13-11-4-5-11/h10-11,13-14H,2-9H2,1H3
InChIKeyGHGBTTSUOOXYQF-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol?
The IUPAC name of 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol (CID 65082633) is 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol is CC1CCCC(O)(CNC2CC2)CC1.
What is the InChIKey of 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol?
The InChIKey is GHGBTTSUOOXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-3-2-7-12(14,8-6-10)9-13-11-4-5-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol?
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol is sourced from PubChem (CID 65082633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).