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

C16H33N — CID 63521315

IUPACN-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(C)(CNC(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-6-7-8-14-9-11-16(5,12-10-14)13-17-15(2,3)4/h14,17H,6-13H2,1-5H3
InChIKeyTYXLQLWAWOXSIU-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds5

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

N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine (PubChem CID 63521315) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine
PubChem CID63521315
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(C)(CNC(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-6-7-8-14-9-11-16(5,12-10-14)13-17-15(2,3)4/h14,17H,6-13H2,1-5H3
InChIKeyTYXLQLWAWOXSIU-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984479
N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63521313
N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 107897307
(4-butyl-1-methylcyclohexyl)methanol
CID 66025172
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
CID 18633775
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine (CID 63521315) is N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine is CCCCC1CCC(C)(CNC(C)(C)C)CC1.
What is the InChIKey of N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
The InChIKey is TYXLQLWAWOXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-7-8-14-9-11-16(5,12-10-14)13-17-15(2,3)4/h14,17H,6-13H2,1-5H3.
What are the key properties of N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63521315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).