N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

C18H30N2 — CID 80997316

IUPACN-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCc1cccc(CN(C)C2CCC2CNCC(C)C)c1
InChIInChI=1S/C18H30N2/c1-14(2)11-19-12-17-8-9-18(17)20(4)13-16-7-5-6-15(3)10-16/h5-7,10,14,17-19H,8-9,11-13H2,1-4H3
InChIKeyFWEQYSJLLUIRTD-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.45
Rot. Bonds7

About N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (PubChem CID 80997316) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
PubChem CID80997316
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCc1cccc(CN(C)C2CCC2CNCC(C)C)c1
InChIInChI=1S/C18H30N2/c1-14(2)11-19-12-17-8-9-18(17)20(4)13-16-7-5-6-15(3)10-16/h5-7,10,14,17-19H,8-9,11-13H2,1-4H3
InChIKeyFWEQYSJLLUIRTD-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922
2-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 61414255
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953
N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81000122
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579834
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (CID 80997316) is N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is Cc1cccc(CN(C)C2CCC2CNCC(C)C)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The InChIKey is FWEQYSJLLUIRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)11-19-12-17-8-9-18(17)20(4)13-16-7-5-6-15(3)10-16/h5-7,10,14,17-19H,8-9,11-13H2,1-4H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80997316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).