3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol

C11H23NO3 — CID 106874712

IUPAC3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
SMILESCOC1CCCCC1(CN)OCCCO
InChIInChI=1S/C11H23NO3/c1-14-10-5-2-3-6-11(10,9-12)15-8-4-7-13/h10,13H,2-9,12H2,1H3
InChIKeyVFDNJDPWQNNAKY-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.67
Rot. Bonds6

About 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol

3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol (PubChem CID 106874712) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
PubChem CID106874712
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
SMILESCOC1CCCCC1(CN)OCCCO
InChIInChI=1S/C11H23NO3/c1-14-10-5-2-3-6-11(10,9-12)15-8-4-7-13/h10,13H,2-9,12H2,1H3
InChIKeyVFDNJDPWQNNAKY-UHFFFAOYSA-N
XLogP0.67
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-ethoxy-2-methoxycyclohexyl)methanamine
CID 106874703
1-(3-hydroxypropoxy)-2-methoxycyclohexane-1-carboxylic acid
CID 106875049
3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
CID 103377338
2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol
CID 103376889
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
2-methoxycyclohexane-1,1-diamine
CID 22418278
1-(aminomethyl)-2-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 106872782
2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol
CID 130555490
1-(aminomethyl)-N-ethyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872163
1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872758
2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol
CID 106874731
methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate
CID 106874714

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol?
The IUPAC name of 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol (CID 106874712) is 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol?
The canonical SMILES for 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol is COC1CCCCC1(CN)OCCCO.
What is the InChIKey of 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol?
The InChIKey is VFDNJDPWQNNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-14-10-5-2-3-6-11(10,9-12)15-8-4-7-13/h10,13H,2-9,12H2,1H3.
What are the key properties of 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol?
3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol is sourced from PubChem (CID 106874712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).