1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine

C15H24N2 — CID 115256643

IUPAC1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine
SMILESCc1cc(C)c(C)c(CNCC2(N)CC2)c1C
InChIInChI=1S/C15H24N2/c1-10-7-11(2)13(4)14(12(10)3)8-17-9-15(16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3
InChIKeyLLMCHXVDXGKRJH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.50
Rot. Bonds4

About 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine

1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine (PubChem CID 115256643) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine
PubChem CID115256643
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine
SMILESCc1cc(C)c(C)c(CNCC2(N)CC2)c1C
InChIInChI=1S/C15H24N2/c1-10-7-11(2)13(4)14(12(10)3)8-17-9-15(16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3
InChIKeyLLMCHXVDXGKRJH-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454
N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197180
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256614
4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]oxan-4-amine
CID 113280989
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307
1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine
CID 117292093
1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine
CID 115209940
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
N-[(2,3,5,6-tetramethylphenyl)methyl]aniline
CID 82129879
1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182238
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine (CID 115256643) is 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine is Cc1cc(C)c(C)c(CNCC2(N)CC2)c1C.
What is the InChIKey of 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine?
The InChIKey is LLMCHXVDXGKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-7-11(2)13(4)14(12(10)3)8-17-9-15(16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3.
What are the key properties of 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine?
1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).