(4-methoxy-4-methylcyclohexyl)methanamine

C9H19NO — CID 118989960

IUPAC(4-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(C)CCC(CN)CC1
InChIInChI=1S/C9H19NO/c1-9(11-2)5-3-8(7-10)4-6-9/h8H,3-7,10H2,1-2H3
InChIKeyRPFBQXAFTZEOOD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About (4-methoxy-4-methylcyclohexyl)methanamine

(4-methoxy-4-methylcyclohexyl)methanamine (PubChem CID 118989960) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4-methoxy-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-4-methylcyclohexyl)methanamine
PubChem CID118989960
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(C)CCC(CN)CC1
InChIInChI=1S/C9H19NO/c1-9(11-2)5-3-8(7-10)4-6-9/h8H,3-7,10H2,1-2H3
InChIKeyRPFBQXAFTZEOOD-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-methylcyclohexyl)methanamine?
The IUPAC name of (4-methoxy-4-methylcyclohexyl)methanamine (CID 118989960) is (4-methoxy-4-methylcyclohexyl)methanamine.
What is the SMILES notation for (4-methoxy-4-methylcyclohexyl)methanamine?
The canonical SMILES for (4-methoxy-4-methylcyclohexyl)methanamine is COC1(C)CCC(CN)CC1.
What is the InChIKey of (4-methoxy-4-methylcyclohexyl)methanamine?
The InChIKey is RPFBQXAFTZEOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(11-2)5-3-8(7-10)4-6-9/h8H,3-7,10H2,1-2H3.
What are the key properties of (4-methoxy-4-methylcyclohexyl)methanamine?
(4-methoxy-4-methylcyclohexyl)methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 118989960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).