(2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol

C18H30N2O — CID 11044487

IUPAC(2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N[C@@H](CC1CCCCC1)c1ccccn1
InChIInChI=1S/C18H30N2O/c1-14(2)18(13-21)20-17(16-10-6-7-11-19-16)12-15-8-4-3-5-9-15/h6-7,10-11,14-15,17-18,20-21H,3-5,8-9,12-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyKCOFNTXGKLZUAM-ZWKOTPCHSA-N
MW290.45 g/mol
LogP3.70
Rot. Bonds7

About (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol

(2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol (PubChem CID 11044487) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol
PubChem CID11044487
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N[C@@H](CC1CCCCC1)c1ccccn1
InChIInChI=1S/C18H30N2O/c1-14(2)18(13-21)20-17(16-10-6-7-11-19-16)12-15-8-4-3-5-9-15/h6-7,10-11,14-15,17-18,20-21H,3-5,8-9,12-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyKCOFNTXGKLZUAM-ZWKOTPCHSA-N
XLogP3.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

N-Desmethylpheniramine
CID 161283
Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
Nsc65650
CID 248485
1-[4-(1-oxa-5,11-diazacyclotetradec-8-ylmethyl)phenyl]-N-(2-pyridylmethyl)methanamine
CID 20610199
(3-Methoxy-propyl)-(phenyl-pyridin-4-yl-methyl)-amine
CID 6602533
2-[1-(4-Methylbenzyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 16192296
[(2S)-5-(cyclohexylmethyl)-1-methyl-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
CID 75529291
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-amine
CID 145979434
N-(4-phenylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-amine
CID 145990722
N-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-amine
CID 145992573
2-[[6-(2-Methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol
CID 166627529
2-[[2-(2-Methyl-3-phenylphenyl)-4-pyridinyl]methylamino]ethanol
CID 166633005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol (CID 11044487) is (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)N[C@@H](CC1CCCCC1)c1ccccn1.
What is the InChIKey of (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
The InChIKey is KCOFNTXGKLZUAM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)18(13-21)20-17(16-10-6-7-11-19-16)12-15-8-4-3-5-9-15/h6-7,10-11,14-15,17-18,20-21H,3-5,8-9,12-13H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
(2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 11044487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).