N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine

C18H37NO — CID 63509628

IUPACN-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCCCCC1(CNCCOC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-7-10-18(15-19-13-14-20-5)11-8-16(9-12-18)17(2,3)4/h16,19H,6-15H2,1-5H3
InChIKeyOTQWIHIRNBKCPP-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.64
Rot. Bonds8

About N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine

N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine (PubChem CID 63509628) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
PubChem CID63509628
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCCCCC1(CNCCOC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-7-10-18(15-19-13-14-20-5)11-8-16(9-12-18)17(2,3)4/h16,19H,6-15H2,1-5H3
InChIKeyOTQWIHIRNBKCPP-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984545
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 113361862
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine
CID 62724223
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine (CID 63509628) is N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine is CCCCC1(CNCCOC)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine?
The InChIKey is OTQWIHIRNBKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-7-10-18(15-19-13-14-20-5)11-8-16(9-12-18)17(2,3)4/h16,19H,6-15H2,1-5H3.
What are the key properties of N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine?
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine has a molecular weight of 283.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63509628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).