N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine

C20H27N — CID 63509675

IUPACN-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-3-20(4-2,15-21-18-12-13-18)14-17-10-7-9-16-8-5-6-11-19(16)17/h5-11,18,21H,3-4,12-15H2,1-2H3
InChIKeyOODGUJMKGPEVLI-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.94
Rot. Bonds7

About N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine

N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine (PubChem CID 63509675) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
PubChem CID63509675
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-3-20(4-2,15-21-18-12-13-18)14-17-10-7-9-16-8-5-6-11-19(16)17/h5-11,18,21H,3-4,12-15H2,1-2H3
InChIKeyOODGUJMKGPEVLI-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509358
1-(cyclopropylamino)-2-methyl-3-naphthalen-1-ylpropan-2-ol
CID 66040349
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 107309723
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
1-ethyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 60657910
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 82870716
1-ethylnaphthalene;methylcyclopropane
CID 142069670
1-(naphthalen-1-ylmethyl)-N-propylpiperidin-4-amine
CID 60820486

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine (CID 63509675) is N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine is CCC(CC)(CNC1CC1)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine?
The InChIKey is OODGUJMKGPEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-20(4-2,15-21-18-12-13-18)14-17-10-7-9-16-8-5-6-11-19(16)17/h5-11,18,21H,3-4,12-15H2,1-2H3.
What are the key properties of N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine?
N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine has a molecular weight of 281.44 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine is sourced from PubChem (CID 63509675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).