1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol

C15H29NO — CID 79357879

IUPAC1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol
SMILESCC1(C)C(NCC2(O)CCCCCC2)C1(C)C
InChIInChI=1S/C15H29NO/c1-13(2)12(14(13,3)4)16-11-15(17)9-7-5-6-8-10-15/h12,16-17H,5-11H2,1-4H3
InChIKeyMOALVUGAASMOHK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds3

About 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol

1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol (PubChem CID 79357879) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol
PubChem CID79357879
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol
SMILESCC1(C)C(NCC2(O)CCCCCC2)C1(C)C
InChIInChI=1S/C15H29NO/c1-13(2)12(14(13,3)4)16-11-15(17)9-7-5-6-8-10-15/h12,16-17H,5-11H2,1-4H3
InChIKeyMOALVUGAASMOHK-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol (CID 79357879) is 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol is CC1(C)C(NCC2(O)CCCCCC2)C1(C)C.
What is the InChIKey of 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is MOALVUGAASMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)12(14(13,3)4)16-11-15(17)9-7-5-6-8-10-15/h12,16-17H,5-11H2,1-4H3.
What are the key properties of 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol?
1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 79357879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).