N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine

C12H20N2 — CID 115226785

IUPACN-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
SMILESCNCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C12H20N2/c1-10(2)12-6-4-11(5-7-12)8-14-9-13-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyBOVGRWCEZUCBRD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine

N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine (PubChem CID 115226785) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
PubChem CID115226785
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
SMILESCNCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C12H20N2/c1-10(2)12-6-4-11(5-7-12)8-14-9-13-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyBOVGRWCEZUCBRD-UHFFFAOYSA-N
XLogP2.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 106122009

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine?
The IUPAC name of N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine (CID 115226785) is N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine.
What is the SMILES notation for N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine?
The canonical SMILES for N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine is CNCNCc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine?
The InChIKey is BOVGRWCEZUCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)12-6-4-11(5-7-12)8-14-9-13-3/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine?
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine has a molecular weight of 192.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine is sourced from PubChem (CID 115226785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).