4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol

C14H29NO2 — CID 64810001

IUPAC4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-3-8-15-13(11-16)7-9-17-14-6-4-5-12(2)10-14/h12-16H,3-11H2,1-2H3
InChIKeyXIFNMCLBZRGGRP-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds8

About 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol

4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol (PubChem CID 64810001) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
PubChem CID64810001
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-3-8-15-13(11-16)7-9-17-14-6-4-5-12(2)10-14/h12-16H,3-11H2,1-2H3
InChIKeyXIFNMCLBZRGGRP-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

4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
CID 63041133
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
4-(4,4-dimethylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 114342744
4-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)butan-1-ol
CID 64804659
2-ethyl-5-(3-methylcyclohexyl)oxy-2-(propylamino)pentan-1-ol
CID 106810257
2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol
CID 64805454
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid
CID 55143185
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
CID 107506875
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
ethane;3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane;hydrate
CID 145159351

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol (CID 64810001) is 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol is CCCNC(CO)CCOC1CCCC(C)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol?
The InChIKey is XIFNMCLBZRGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-8-15-13(11-16)7-9-17-14-6-4-5-12(2)10-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol?
4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-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 4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64810001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).