N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C18H37NO — CID 103984479

IUPACN-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(CNC(C)(C)C)(COCC)CC1
InChIInChI=1S/C18H37NO/c1-6-8-9-16-10-12-18(13-11-16,15-20-7-2)14-19-17(3,4)5/h16,19H,6-15H2,1-5H3
InChIKeyZZAGOJHUQWDTDG-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds8

About N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 103984479) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID103984479
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(CNC(C)(C)C)(COCC)CC1
InChIInChI=1S/C18H37NO/c1-6-8-9-16-10-12-18(13-11-16,15-20-7-2)14-19-17(3,4)5/h16,19H,6-15H2,1-5H3
InChIKeyZZAGOJHUQWDTDG-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483
N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63521313
N-[[1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984495
N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 63521315
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 107897307
4-butyl-1-(ethoxymethyl)cyclohexane-1-carboxylic acid
CID 103984143
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295

Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 103984479) is N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCCCC1CCC(CNC(C)(C)C)(COCC)CC1.
What is the InChIKey of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZZAGOJHUQWDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-8-9-16-10-12-18(13-11-16,15-20-7-2)14-19-17(3,4)5/h16,19H,6-15H2,1-5H3.
What are the key properties of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103984479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).