[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine

C13H27NO2 — CID 43428865

IUPAC[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(OCCOC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-10(2)15-6-7-16-13-8-11(3)4-5-12(13)9-14/h10-13H,4-9,14H2,1-3H3
InChIKeyLDCZBLRTWVQKSK-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds6

About [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine

[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine (PubChem CID 43428865) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
PubChem CID43428865
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(OCCOC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-10(2)15-6-7-16-13-8-11(3)4-5-12(13)9-14/h10-13H,4-9,14H2,1-3H3
InChIKeyLDCZBLRTWVQKSK-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428867
2-(aminomethyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81058683
4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
CID 43184301
(2-cyclobutyloxy-4-methylcyclohexyl)methanamine
CID 114995524
1,3-ditert-butyl-5-methyl-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 71251298
(2-propoxycyclopropyl)methanamine
CID 102729399
[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
CID 116500448
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
1-methyl-4-(2-propan-2-yloxyethoxy)piperidin-3-amine
CID 134434456
[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine
CID 113320306
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine (CID 43428865) is [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine is CC1CCC(CN)C(OCCOC(C)C)C1.
What is the InChIKey of [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
The InChIKey is LDCZBLRTWVQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)15-6-7-16-13-8-11(3)4-5-12(13)9-14/h10-13H,4-9,14H2,1-3H3.
What are the key properties of [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine has a molecular weight of 229.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).