2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol

C13H25NO2 — CID 114750591

IUPAC2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol
SMILESCOC1CCC(NCC2(CCO)CC2)CC1
InChIInChI=1S/C13H25NO2/c1-16-12-4-2-11(3-5-12)14-10-13(6-7-13)8-9-15/h11-12,14-15H,2-10H2,1H3
InChIKeyPYRJQDGDDKSXMM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114750591) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol
PubChem CID114750591
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol
SMILESCOC1CCC(NCC2(CCO)CC2)CC1
InChIInChI=1S/C13H25NO2/c1-16-12-4-2-11(3-5-12)14-10-13(6-7-13)8-9-15/h11-12,14-15H,2-10H2,1H3
InChIKeyPYRJQDGDDKSXMM-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(3-ethoxycyclobutyl)amino]methyl]cyclopropyl]ethanol
CID 114750744
1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol
CID 104530214
2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878
2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750752
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
ethane-1,2-diol;methoxycyclopropane
CID 174681664
1-[(cyclopropylamino)methyl]-3-methoxycyclobutan-1-ol
CID 106824204
2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
CID 114756019
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
2-[1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]cyclopropyl]ethanol
CID 114750536
N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
CID 65194954
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844810

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol (CID 114750591) is 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol is COC1CCC(NCC2(CCO)CC2)CC1.
What is the InChIKey of 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is PYRJQDGDDKSXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-16-12-4-2-11(3-5-12)14-10-13(6-7-13)8-9-15/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-methoxycyclohexyl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).