1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol

C14H29NO2 — CID 103876239

IUPAC1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol
SMILESCCCC1CCC(NCCC(O)COC)CC1
InChIInChI=1S/C14H29NO2/c1-3-4-12-5-7-13(8-6-12)15-10-9-14(16)11-17-2/h12-16H,3-11H2,1-2H3
InChIKeyXYJGYNZSCBSHIH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds8

About 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol

1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol (PubChem CID 103876239) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol
PubChem CID103876239
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol
SMILESCCCC1CCC(NCCC(O)COC)CC1
InChIInChI=1S/C14H29NO2/c1-3-4-12-5-7-13(8-6-12)15-10-9-14(16)11-17-2/h12-16H,3-11H2,1-2H3
InChIKeyXYJGYNZSCBSHIH-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
1-(2-hydroxy-3-methoxypropyl)-3-(4-propylcyclohexyl)urea
CID 111426774
4-[(3-hydroxy-4-methoxybutyl)amino]piperidine-1-carboxamide
CID 113349364
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
N-(2-cyclohexyloxyethyl)-4-propylcyclohexan-1-amine
CID 63826755
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173
1-(dimethylamino)-3-[(4-propylcyclohexyl)amino]propan-2-ol
CID 54962696
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
N-but-3-ynyl-4-propylcyclohexan-1-amine
CID 63656858

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol (CID 103876239) is 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol is CCCC1CCC(NCCC(O)COC)CC1.
What is the InChIKey of 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol?
The InChIKey is XYJGYNZSCBSHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-4-12-5-7-13(8-6-12)15-10-9-14(16)11-17-2/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol?
1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-propylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 103876239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).