(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol

C11H23NO — CID 174154195

IUPAC(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CC[C@H](C)[C@](C)(O)CC1
InChIInChI=1S/C11H23NO/c1-9(2)12-7-5-10(3)11(4,13)6-8-12/h9-10,13H,5-8H2,1-4H3/t10-,11+/m0/s1
InChIKeyUQRRLPWDMDDNSH-WDEREUQCSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds1

About (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol

(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol (PubChem CID 174154195) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
PubChem CID174154195
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CC[C@H](C)[C@](C)(O)CC1
InChIInChI=1S/C11H23NO/c1-9(2)12-7-5-10(3)11(4,13)6-8-12/h9-10,13H,5-8H2,1-4H3/t10-,11+/m0/s1
InChIKeyUQRRLPWDMDDNSH-WDEREUQCSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 177204312
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile
CID 79130506
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 158071698
4-(2-cyclopropylethyl)-1-propan-2-ylpiperidin-4-ol
CID 106590391
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
methane;1-propan-2-ylpiperidin-4-ol
CID 158347030
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
bis(3-methyl-1-propan-2-ylazetidin-3-ol);bis((3S)-3-methyl-1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidine;bis((3S)-1-propan-2-ylpyrrolidin-3-ol)
CID 167683219

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol?
The IUPAC name of (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol (CID 174154195) is (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol?
The canonical SMILES for (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol is CC(C)N1CC[C@H](C)[C@](C)(O)CC1.
What is the InChIKey of (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol?
The InChIKey is UQRRLPWDMDDNSH-WDEREUQCSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)12-7-5-10(3)11(4,13)6-8-12/h9-10,13H,5-8H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol?
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 174154195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).