N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

C18H29N — CID 64997816

IUPACN-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C2(CNCC(C)C)CC(C)(C)C2)cc1
InChIInChI=1S/C18H29N/c1-14(2)10-19-13-18(11-17(4,5)12-18)16-8-6-15(3)7-9-16/h6-9,14,19H,10-13H2,1-5H3
InChIKeyNTMBETFKOXXPJL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.30
Rot. Bonds5

About N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 64997816) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID64997816
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C2(CNCC(C)C)CC(C)(C)C2)cc1
InChIInChI=1S/C18H29N/c1-14(2)10-19-13-18(11-17(4,5)12-18)16-8-6-15(3)7-9-16/h6-9,14,19H,10-13H2,1-5H3
InChIKeyNTMBETFKOXXPJL-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3,3-dimethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998081
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 64997710
N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65003672
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008610
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
CID 80523825
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 65006722

Frequently Asked Questions

What is the IUPAC name of N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 64997816) is N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is Cc1ccc(C2(CNCC(C)C)CC(C)(C)C2)cc1.
What is the InChIKey of N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NTMBETFKOXXPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)10-19-13-18(11-17(4,5)12-18)16-8-6-15(3)7-9-16/h6-9,14,19H,10-13H2,1-5H3.
What are the key properties of N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64997816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).