N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C18H37NO — CID 81030544

IUPACN-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCC1CC(C(C)(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C18H37NO/c1-8-20-13-15-11-16(17(2,3)4)10-9-14(15)12-19-18(5,6)7/h14-16,19H,8-13H2,1-7H3
InChIKeyNYGXQRKBCMHOAI-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.49
Rot. Bonds5

About N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81030544) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81030544
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCC1CC(C(C)(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C18H37NO/c1-8-20-13-15-11-16(17(2,3)4)10-9-14(15)12-19-18(5,6)7/h14-16,19H,8-13H2,1-7H3
InChIKeyNYGXQRKBCMHOAI-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81030913
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81021871
N-[(4-tert-butyl-2-cyclopropylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030772
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 104575933
N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030062
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030105
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 81030393
N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032369
1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030981

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81030544) is N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCOCC1CC(C(C)(C)C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NYGXQRKBCMHOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-8-20-13-15-11-16(17(2,3)4)10-9-14(15)12-19-18(5,6)7/h14-16,19H,8-13H2,1-7H3.
What are the key properties of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81030544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).