[4-(2-methylpropoxy)cyclohexyl]methanamine

C11H23NO — CID 83828871

IUPAC[4-(2-methylpropoxy)cyclohexyl]methanamine
SMILESCC(C)COC1CCC(CN)CC1
InChIInChI=1S/C11H23NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h9-11H,3-8,12H2,1-2H3
InChIKeyKOADJEFTQSSJOX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds4

About [4-(2-methylpropoxy)cyclohexyl]methanamine

[4-(2-methylpropoxy)cyclohexyl]methanamine (PubChem CID 83828871) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [4-(2-methylpropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropoxy)cyclohexyl]methanamine
PubChem CID83828871
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[4-(2-methylpropoxy)cyclohexyl]methanamine
SMILESCC(C)COC1CCC(CN)CC1
InChIInChI=1S/C11H23NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h9-11H,3-8,12H2,1-2H3
InChIKeyKOADJEFTQSSJOX-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane
CID 19099396
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238
(2R)-1-cyclopropyloxypropan-2-amine
CID 171329250
(4-methoxycyclohexyl)methanamine;hydrochloride
CID 66699723
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
1-(4-aminocyclohexyl)oxy-3-methylbutan-2-ol
CID 121379144
1,3-bis(2-methylpropoxy)cyclohexane
CID 142724775
3-cyclopentyloxy-2-methylpropan-1-amine
CID 43367941
3-(2-methylpropoxy)cyclopentan-1-ol
CID 18953130
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297
(4-cyclohexyloxycyclohexyl)methanamine
CID 83835102

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropoxy)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylpropoxy)cyclohexyl]methanamine (CID 83828871) is [4-(2-methylpropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylpropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylpropoxy)cyclohexyl]methanamine is CC(C)COC1CCC(CN)CC1.
What is the InChIKey of [4-(2-methylpropoxy)cyclohexyl]methanamine?
The InChIKey is KOADJEFTQSSJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h9-11H,3-8,12H2,1-2H3.
What are the key properties of [4-(2-methylpropoxy)cyclohexyl]methanamine?
[4-(2-methylpropoxy)cyclohexyl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 83828871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).