(4-methoxycyclohexyl)methanamine;hydrochloride

C8H18ClNO — CID 66699723

IUPAC(4-methoxycyclohexyl)methanamine;hydrochloride
SMILESCOC1CCC(CN)CC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-10-8-4-2-7(6-9)3-5-8;/h7-8H,2-6,9H2,1H3;1H
InChIKeyDCAFYIFTMNXBOB-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.57
Rot. Bonds2

About (4-methoxycyclohexyl)methanamine;hydrochloride

(4-methoxycyclohexyl)methanamine;hydrochloride (PubChem CID 66699723) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (4-methoxycyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-methoxycyclohexyl)methanamine;hydrochloride
PubChem CID66699723
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(4-methoxycyclohexyl)methanamine;hydrochloride
SMILESCOC1CCC(CN)CC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-10-8-4-2-7(6-9)3-5-8;/h7-8H,2-6,9H2,1H3;1H
InChIKeyDCAFYIFTMNXBOB-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Methoxycyclohexyl)methanamine
CID 64092286
2-(4-Methoxycyclohexyl)ethylamine
CID 53434199
2-Cyclohexyl-2-methoxyethan-1-amine
CID 57016644
(4-Methoxycyclohexyl)methanamine
CID 55281686
(4-Ethoxycyclohexyl)methanamine
CID 57553441
4-(Aminomethyl)cyclohexan-1-ol hydrochloride
CID 66699718
(2,6-Dimethyloxan-4-yl)methanamine
CID 81852973
2-(2-Methyloxan-4-yl)ethan-1-amine
CID 64137442
rac-((1R,2S)-2-methoxycyclohexyl)methanamine hydrochloride
CID 145913159
1-(4-Ethoxycyclohexyl)ethan-1-amine hydrochloride
CID 154842558
3-[(4-Methylcyclohexyl)oxy]propan-1-amine hydrochloride
CID 170912961
rac-[(1R,2R)-2-methoxycyclohexyl]methanamine
CID 93044825

Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)methanamine;hydrochloride?
The IUPAC name of (4-methoxycyclohexyl)methanamine;hydrochloride (CID 66699723) is (4-methoxycyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (4-methoxycyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (4-methoxycyclohexyl)methanamine;hydrochloride is COC1CCC(CN)CC1.Cl.
What is the InChIKey of (4-methoxycyclohexyl)methanamine;hydrochloride?
The InChIKey is DCAFYIFTMNXBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-10-8-4-2-7(6-9)3-5-8;/h7-8H,2-6,9H2,1H3;1H.
What are the key properties of (4-methoxycyclohexyl)methanamine;hydrochloride?
(4-methoxycyclohexyl)methanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 66699723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).