N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine

C17H27N — CID 116929382

IUPACN-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
SMILESCNCC1(Cc2ccc(CC(C)C)cc2)CCC1
InChIInChI=1S/C17H27N/c1-14(2)11-15-5-7-16(8-6-15)12-17(13-18-3)9-4-10-17/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyUJBLKPHKUFSUDF-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.82
Rot. Bonds6

About N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine

N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine (PubChem CID 116929382) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
PubChem CID116929382
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
SMILESCNCC1(Cc2ccc(CC(C)C)cc2)CCC1
InChIInChI=1S/C17H27N/c1-14(2)11-15-5-7-16(8-6-15)12-17(13-18-3)9-4-10-17/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyUJBLKPHKUFSUDF-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine (CID 116929382) is N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine is CNCC1(Cc2ccc(CC(C)C)cc2)CCC1.
What is the InChIKey of N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine?
The InChIKey is UJBLKPHKUFSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)11-15-5-7-16(8-6-15)12-17(13-18-3)9-4-10-17/h5-8,14,18H,4,9-13H2,1-3H3.
What are the key properties of N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine?
N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 116929382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).