(2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol

C16H31NO — CID 124864824

IUPAC(2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol
SMILESC[C@H](O)CC(C)(C)CN[C@@H]1CCC[C@@H](C2CC2)C1
InChIInChI=1S/C16H31NO/c1-12(18)10-16(2,3)11-17-15-6-4-5-14(9-15)13-7-8-13/h12-15,17-18H,4-11H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyDJZQSGXDOPPNTL-NWANDNLSSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds6

About (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol

(2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 124864824) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol
PubChem CID124864824
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol
SMILESC[C@H](O)CC(C)(C)CN[C@@H]1CCC[C@@H](C2CC2)C1
InChIInChI=1S/C16H31NO/c1-12(18)10-16(2,3)11-17-15-6-4-5-14(9-15)13-7-8-13/h12-15,17-18H,4-11H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyDJZQSGXDOPPNTL-NWANDNLSSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

5-[(3,4-Dimethylcyclohexyl)amino]-4-methylpentan-2-OL
CID 86794772
4-[(4-Tert-butylcyclohexyl)amino]butan-1-ol
CID 106840680
(3R)-3-(4-cyclohexylpentan-2-ylamino)-4-methylpentan-2-ol
CID 118964566
(2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol
CID 143973005
1-(Spiro[2.5]octan-7-ylamino)ethanol
CID 163772268
4-[(4-Tert-butylcyclohexyl)amino]cyclohexanol
CID 23767860
4-[[4-(2-Methylbutan-2-yl)cyclohexyl]amino]cyclohexan-1-ol
CID 28454065
4-[(2-Tert-butylcyclohexyl)amino]cyclohexan-1-ol
CID 43178543
1-Cyclopropyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanol
CID 63294020
2-[(2-Tert-butylcyclohexyl)amino]-1-cyclopropylethanol
CID 63294032
1-Cyclopropyl-2-[(3-methylcyclohexyl)amino]ethanol
CID 63294079
1-Cyclopropyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol
CID 63294384

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol (CID 124864824) is (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol is C[C@H](O)CC(C)(C)CN[C@@H]1CCC[C@@H](C2CC2)C1.
What is the InChIKey of (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is DJZQSGXDOPPNTL-NWANDNLSSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(18)10-16(2,3)11-17-15-6-4-5-14(9-15)13-7-8-13/h12-15,17-18H,4-11H2,1-3H3/t12-,14+,15+/m0/s1.
What are the key properties of (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol?
(2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 124864824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).