(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol

C22H39NO2 — CID 41474577

IUPAC(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol
SMILESCCN(C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C22H39NO2/c1-2-23(20-6-4-3-5-7-20)14-21(24)15-25-16-22-11-17-8-18(12-22)10-19(9-17)13-22/h17-21,24H,2-16H2,1H3/t17?,18?,19?,21-,22?/m0/s1
InChIKeyXPGXFFFUOJABEZ-OTNIWXAGSA-N
MW349.56 g/mol
LogP4.23
Rot. Bonds8

About (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol

(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol (PubChem CID 41474577) has the molecular formula C22H39NO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol
PubChem CID41474577
Molecular FormulaC22H39NO2
Molecular Weight349.56 g/mol
Exact Mass349.30
IUPAC Name(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol
SMILESCCN(C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C22H39NO2/c1-2-23(20-6-4-3-5-7-20)14-21(24)15-25-16-22-11-17-8-18(12-22)10-19(9-17)13-22/h17-21,24H,2-16H2,1H3/t17?,18?,19?,21-,22?/m0/s1
InChIKeyXPGXFFFUOJABEZ-OTNIWXAGSA-N
XLogP4.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-adamantylmethoxy)-3-[bis(2-methylpropyl)amino]propan-2-ol
CID 42589822
(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 2392576
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110892631
1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol
CID 43165783
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
1-ethoxy-3-[ethyl(piperidin-4-yl)amino]propan-2-ol
CID 63932998
1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
(2S)-1-(1-adamantylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 41474497
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
N,N-diethylcycloundecanamine
CID 163828609

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol (CID 41474577) is (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol is CCN(C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1.
What is the InChIKey of (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol?
The InChIKey is XPGXFFFUOJABEZ-OTNIWXAGSA-N. The full InChI is InChI=1S/C22H39NO2/c1-2-23(20-6-4-3-5-7-20)14-21(24)15-25-16-22-11-17-8-18(12-22)10-19(9-17)13-22/h17-21,24H,2-16H2,1H3/t17?,18?,19?,21-,22?/m0/s1.
What are the key properties of (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol?
(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol has a molecular weight of 349.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol is sourced from PubChem (CID 41474577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).