1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine

C17H28N2 — CID 115244691

IUPAC1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
SMILESCNCC1(CNCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2,3)15-7-5-14(6-8-15)11-19-13-17(9-10-17)12-18-4/h5-8,18-19H,9-13H2,1-4H3
InChIKeyKNOAOWJHWAADJD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine

1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine (PubChem CID 115244691) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
PubChem CID115244691
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
SMILESCNCC1(CNCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2,3)15-7-5-14(6-8-15)11-19-13-17(9-10-17)12-18-4/h5-8,18-19H,9-13H2,1-4H3
InChIKeyKNOAOWJHWAADJD-UHFFFAOYSA-N
XLogP3.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 115244732
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
1-(3,4-dihydro-2H-chromen-6-yl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244745
5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
CID 115244726
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
CID 114750159
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
CID 115244887
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine (CID 115244691) is 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine is CNCC1(CNCc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
The InChIKey is KNOAOWJHWAADJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)15-7-5-14(6-8-15)11-19-13-17(9-10-17)12-18-4/h5-8,18-19H,9-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine?
1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 115244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).