(1-methoxycyclohexyl)methanamine;hydrochloride

C8H18ClNO — CID 66589196

IUPAC(1-methoxycyclohexyl)methanamine;hydrochloride
SMILESCOC1(CN)CCCCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-10-8(7-9)5-3-2-4-6-8;/h2-7,9H2,1H3;1H
InChIKeyDDHGJXNEQBEAGO-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.72
Rot. Bonds2

About (1-methoxycyclohexyl)methanamine;hydrochloride

(1-methoxycyclohexyl)methanamine;hydrochloride (PubChem CID 66589196) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (1-methoxycyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methoxycyclohexyl)methanamine;hydrochloride
PubChem CID66589196
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(1-methoxycyclohexyl)methanamine;hydrochloride
SMILESCOC1(CN)CCCCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-10-8(7-9)5-3-2-4-6-8;/h2-7,9H2,1H3;1H
InChIKeyDDHGJXNEQBEAGO-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)methanamine;hydrochloride?
The IUPAC name of (1-methoxycyclohexyl)methanamine;hydrochloride (CID 66589196) is (1-methoxycyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (1-methoxycyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (1-methoxycyclohexyl)methanamine;hydrochloride is COC1(CN)CCCCC1.Cl.
What is the InChIKey of (1-methoxycyclohexyl)methanamine;hydrochloride?
The InChIKey is DDHGJXNEQBEAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-10-8(7-9)5-3-2-4-6-8;/h2-7,9H2,1H3;1H.
What are the key properties of (1-methoxycyclohexyl)methanamine;hydrochloride?
(1-methoxycyclohexyl)methanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 66589196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).