N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine

C20H39N — CID 81033141

IUPACN-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCC1C1CCCCCC1CNCC(C)C
InChIInChI=1S/C20H39N/c1-4-17-10-8-9-13-19(17)20-12-7-5-6-11-18(20)15-21-14-16(2)3/h16-21H,4-15H2,1-3H3
InChIKeyVMWXPZWNVKNERM-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.64
Rot. Bonds6

About N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine (PubChem CID 81033141) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
PubChem CID81033141
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCC1C1CCCCCC1CNCC(C)C
InChIInChI=1S/C20H39N/c1-4-17-10-8-9-13-19(17)20-12-7-5-6-11-18(20)15-21-14-16(2)3/h16-21H,4-15H2,1-3H3
InChIKeyVMWXPZWNVKNERM-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
CID 81027467
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028909
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81024946
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
N-[(2-but-2-ynylcycloheptyl)methyl]-2-methylpropan-1-amine
CID 81025136
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine (CID 81033141) is N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine is CCC1CCCCC1C1CCCCCC1CNCC(C)C.
What is the InChIKey of N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VMWXPZWNVKNERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-4-17-10-8-9-13-19(17)20-12-7-5-6-11-18(20)15-21-14-16(2)3/h16-21H,4-15H2,1-3H3.
What are the key properties of N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81033141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).