(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol

C15H28FNO — CID 140515379

IUPAC(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N[C@@H](C1CC1)C1CCCCC1F
InChIInChI=1S/C15H28FNO/c1-10(2)14(9-18)17-15(11-7-8-11)12-5-3-4-6-13(12)16/h10-15,17-18H,3-9H2,1-2H3/t12?,13?,14-,15+/m1/s1
InChIKeySDQYDVBKNMFHRA-CVSAEHQPSA-N
MW257.39 g/mol
LogP2.90
Rot. Bonds6

About (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol

(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol (PubChem CID 140515379) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
PubChem CID140515379
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N[C@@H](C1CC1)C1CCCCC1F
InChIInChI=1S/C15H28FNO/c1-10(2)14(9-18)17-15(11-7-8-11)12-5-3-4-6-13(12)16/h10-15,17-18H,3-9H2,1-2H3/t12?,13?,14-,15+/m1/s1
InChIKeySDQYDVBKNMFHRA-CVSAEHQPSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol
CID 2947542
2-[(4-Ethylcyclohexyl)amino]ethan-1-ol
CID 33788242
1-[[4-(2-Aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol
CID 70905293
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
(2S)-2-[[(S)-cyclopropyl-(3-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
CID 140515383
2-[(4-Fluoro-5-methylcycloheptyl)amino]ethanol
CID 166655112
2-Cyclohexyl-2-(methylamino)ethanol
CID 278542
2-Cyclohexyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046571
3-(1-Cyclohexylethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900459
3-(1-Cyclohexylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 63900460
4-Methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 64753867
1-Cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64754479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol (CID 140515379) is (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)N[C@@H](C1CC1)C1CCCCC1F.
What is the InChIKey of (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol?
The InChIKey is SDQYDVBKNMFHRA-CVSAEHQPSA-N. The full InChI is InChI=1S/C15H28FNO/c1-10(2)14(9-18)17-15(11-7-8-11)12-5-3-4-6-13(12)16/h10-15,17-18H,3-9H2,1-2H3/t12?,13?,14-,15+/m1/s1.
What are the key properties of (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol?
(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol has a molecular weight of 257.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 140515379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).