4-methoxy-1,4-dimethylcyclohexan-1-amine

C9H19NO — CID 90857551

IUPAC4-methoxy-1,4-dimethylcyclohexan-1-amine
SMILESCOC1(C)CCC(C)(N)CC1
InChIInChI=1S/C9H19NO/c1-8(10)4-6-9(2,11-3)7-5-8/h4-7,10H2,1-3H3
InChIKeyBBMKJGRQSCNRSZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds1

About 4-methoxy-1,4-dimethylcyclohexan-1-amine

4-methoxy-1,4-dimethylcyclohexan-1-amine (PubChem CID 90857551) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methoxy-1,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-1,4-dimethylcyclohexan-1-amine
PubChem CID90857551
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methoxy-1,4-dimethylcyclohexan-1-amine
SMILESCOC1(C)CCC(C)(N)CC1
InChIInChI=1S/C9H19NO/c1-8(10)4-6-9(2,11-3)7-5-8/h4-7,10H2,1-3H3
InChIKeyBBMKJGRQSCNRSZ-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-4-methoxy-4-methylcyclohexane
CID 122579761
1-methoxy-1-methylcyclodecane
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CID 123479365
1-methylcyclobutan-1-amine;hydrochloride
CID 18332449
4-chloro-1-methoxy-1-methylcyclohexane
CID 174685185
4-methoxy-1-methylcyclohexan-1-amine
CID 59419772
1,4-dimethoxy-4-methylpiperidine
CID 91124438
5-methoxy-5-methylazonane
CID 137425996
8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 21134196
3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine
CID 130591060
1-(iodomethyl)-4-methoxy-4-methylpiperidine
CID 166768367
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,4-dimethylcyclohexan-1-amine?
The IUPAC name of 4-methoxy-1,4-dimethylcyclohexan-1-amine (CID 90857551) is 4-methoxy-1,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-1,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-methoxy-1,4-dimethylcyclohexan-1-amine is COC1(C)CCC(C)(N)CC1.
What is the InChIKey of 4-methoxy-1,4-dimethylcyclohexan-1-amine?
The InChIKey is BBMKJGRQSCNRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(10)4-6-9(2,11-3)7-5-8/h4-7,10H2,1-3H3.
What are the key properties of 4-methoxy-1,4-dimethylcyclohexan-1-amine?
4-methoxy-1,4-dimethylcyclohexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 90857551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).