N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

C17H27N — CID 65195002

IUPACN-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1cc(C)cc(CC2(CNC(C)C)CCC2)c1
InChIInChI=1S/C17H27N/c1-13(2)18-12-17(6-5-7-17)11-16-9-14(3)8-15(4)10-16/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyFLHMOJWGCRYHEI-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.01
Rot. Bonds5

About N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 65195002) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID65195002
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1cc(C)cc(CC2(CNC(C)C)CCC2)c1
InChIInChI=1S/C17H27N/c1-13(2)18-12-17(6-5-7-17)11-16-9-14(3)8-15(4)10-16/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyFLHMOJWGCRYHEI-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194218
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
[1-[(3,5-dimethylphenyl)methyl]cyclopentyl]methanol
CID 66024135
N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66023597
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (CID 65195002) is N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is Cc1cc(C)cc(CC2(CNC(C)C)CCC2)c1.
What is the InChIKey of N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is FLHMOJWGCRYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)18-12-17(6-5-7-17)11-16-9-14(3)8-15(4)10-16/h8-10,13,18H,5-7,11-12H2,1-4H3.
What are the key properties of N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65195002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).