2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol

C12H23NO — CID 62609891

IUPAC2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCCC1O)C1CC1
InChIInChI=1S/C12H23NO/c1-13(11-7-8-11)9-10-5-3-2-4-6-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyBHHSRNWRSXSBPI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds3

About 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol

2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62609891) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
PubChem CID62609891
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCCC1O)C1CC1
InChIInChI=1S/C12H23NO/c1-13(11-7-8-11)9-10-5-3-2-4-6-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyBHHSRNWRSXSBPI-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-(4-methylcyclohexyl)amino]methyl]cycloheptan-1-ol
CID 62611154
2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 62610260
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
CID 62609025
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol
CID 103061306
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol
CID 62611279
2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 113356313
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol
CID 63939487
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride
CID 2725085
2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
CID 62614437

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol (CID 62609891) is 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol is CN(CC1CCCCCC1O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is BHHSRNWRSXSBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-13(11-7-8-11)9-10-5-3-2-4-6-12(10)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol?
2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62609891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).