4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol

C14H29NO — CID 81391896

IUPAC4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
SMILESC[C@@H](NCCC(C)(C)O)C1CCCCCC1
InChIInChI=1S/C14H29NO/c1-12(15-11-10-14(2,3)16)13-8-6-4-5-7-9-13/h12-13,15-16H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyIEDYTZIXVVSRGV-GFCCVEGCSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds5

About 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol

4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol (PubChem CID 81391896) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
PubChem CID81391896
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
SMILESC[C@@H](NCCC(C)(C)O)C1CCCCCC1
InChIInChI=1S/C14H29NO/c1-12(15-11-10-14(2,3)16)13-8-6-4-5-7-9-13/h12-13,15-16H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyIEDYTZIXVVSRGV-GFCCVEGCSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
CID 81384504
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
CID 107445909
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol (CID 81391896) is 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol is C[C@@H](NCCC(C)(C)O)C1CCCCCC1.
What is the InChIKey of 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
The InChIKey is IEDYTZIXVVSRGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(15-11-10-14(2,3)16)13-8-6-4-5-7-9-13/h12-13,15-16H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 81391896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).