N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine

C15H31N — CID 81024946

IUPACN-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)C1CCCCC1CNCC(C)C
InChIInChI=1S/C15H31N/c1-5-13(4)15-9-7-6-8-14(15)11-16-10-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyDDYMATIQERKIFH-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds6

About N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine

N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine (PubChem CID 81024946) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
PubChem CID81024946
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)C1CCCCC1CNCC(C)C
InChIInChI=1S/C15H31N/c1-5-13(4)15-9-7-6-8-14(15)11-16-10-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyDDYMATIQERKIFH-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-butan-2-ylcyclobutyl)methyl]propan-1-amine
CID 81018359
N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033141
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine (CID 81024946) is N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine is CCC(C)C1CCCCC1CNCC(C)C.
What is the InChIKey of N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine?
The InChIKey is DDYMATIQERKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-13(4)15-9-7-6-8-14(15)11-16-10-12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine?
N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81024946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).