1-(4-butan-2-ylphenyl)-N'-methylmethanediamine

C12H20N2 — CID 116939281

IUPAC1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
SMILESCCC(C)c1ccc(C(N)NC)cc1
InChIInChI=1S/C12H20N2/c1-4-9(2)10-5-7-11(8-6-10)12(13)14-3/h5-9,12,14H,4,13H2,1-3H3
InChIKeyPXPQGUYJJBXKSR-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine

1-(4-butan-2-ylphenyl)-N'-methylmethanediamine (PubChem CID 116939281) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
PubChem CID116939281
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
SMILESCCC(C)c1ccc(C(N)NC)cc1
InChIInChI=1S/C12H20N2/c1-4-9(2)10-5-7-11(8-6-10)12(13)14-3/h5-9,12,14H,4,13H2,1-3H3
InChIKeyPXPQGUYJJBXKSR-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
4-butan-2-yl-N-methylaniline
CID 22675641
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
CID 82984910
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine (CID 116939281) is 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine is CCC(C)c1ccc(C(N)NC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine?
The InChIKey is PXPQGUYJJBXKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-9(2)10-5-7-11(8-6-10)12(13)14-3/h5-9,12,14H,4,13H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine?
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine has a molecular weight of 192.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N'-methylmethanediamine is sourced from PubChem (CID 116939281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).