3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol

C14H29NO — CID 81389207

IUPAC3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
SMILESCC(N[C@H](C)C1CCCCCC1)C(C)(C)O
InChIInChI=1S/C14H29NO/c1-11(15-12(2)14(3,4)16)13-9-7-5-6-8-10-13/h11-13,15-16H,5-10H2,1-4H3/t11-,12?/m1/s1
InChIKeyYRLGXYGPBFMSRJ-JHJMLUEUSA-N
MW227.39 g/mol
LogP3.09
Rot. Bonds4

About 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol

3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol (PubChem CID 81389207) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
PubChem CID81389207
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
SMILESCC(N[C@H](C)C1CCCCCC1)C(C)(C)O
InChIInChI=1S/C14H29NO/c1-11(15-12(2)14(3,4)16)13-9-7-5-6-8-10-13/h11-13,15-16H,5-10H2,1-4H3/t11-,12?/m1/s1
InChIKeyYRLGXYGPBFMSRJ-JHJMLUEUSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384379
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249
N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
CID 58459053
N-tert-butyl-2-(1-cyclohexylethylamino)propanamide
CID 62405402
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol (CID 81389207) is 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol is CC(N[C@H](C)C1CCCCCC1)C(C)(C)O.
What is the InChIKey of 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
The InChIKey is YRLGXYGPBFMSRJ-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(15-12(2)14(3,4)16)13-9-7-5-6-8-10-13/h11-13,15-16H,5-10H2,1-4H3/t11-,12?/m1/s1.
What are the key properties of 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol?
3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 81389207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).