(3,5-dimethoxycyclohexyl)methanamine

C9H19NO2 — CID 123884100

IUPAC(3,5-dimethoxycyclohexyl)methanamine
SMILESCOC1CC(CN)CC(OC)C1
InChIInChI=1S/C9H19NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h7-9H,3-6,10H2,1-2H3
InChIKeyCTRXZNAGBMERJH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.78
Rot. Bonds3

About (3,5-dimethoxycyclohexyl)methanamine

(3,5-dimethoxycyclohexyl)methanamine (PubChem CID 123884100) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3,5-dimethoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxycyclohexyl)methanamine
PubChem CID123884100
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3,5-dimethoxycyclohexyl)methanamine
SMILESCOC1CC(CN)CC(OC)C1
InChIInChI=1S/C9H19NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h7-9H,3-6,10H2,1-2H3
InChIKeyCTRXZNAGBMERJH-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxycyclobutyl)ethanamine
CID 106824044
1,3,5-trimethoxycyclohexane
CID 547415
[(3S,5S)-5-methoxyoxan-3-yl]methanamine
CID 59234207
(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride
CID 71741933
(4-methoxycyclohexyl)methanamine;hydrochloride
CID 66699723
[(3S,5S)-5-methoxyoxepan-3-yl]methanamine
CID 59234185
1-(chloromethyl)-3-methoxycyclobutane
CID 106824609
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
3-(aminomethyl)cyclobutan-1-ol;hydrochloride
CID 71651055
2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid
CID 106940343
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxycyclohexyl)methanamine?
The IUPAC name of (3,5-dimethoxycyclohexyl)methanamine (CID 123884100) is (3,5-dimethoxycyclohexyl)methanamine.
What is the SMILES notation for (3,5-dimethoxycyclohexyl)methanamine?
The canonical SMILES for (3,5-dimethoxycyclohexyl)methanamine is COC1CC(CN)CC(OC)C1.
What is the InChIKey of (3,5-dimethoxycyclohexyl)methanamine?
The InChIKey is CTRXZNAGBMERJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of (3,5-dimethoxycyclohexyl)methanamine?
(3,5-dimethoxycyclohexyl)methanamine has a molecular weight of 173.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxycyclohexyl)methanamine is sourced from PubChem (CID 123884100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).