N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine

C16H28N2 — CID 115206673

IUPACN-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccccc1C(C)(C)CNCCNC(C)C
InChIInChI=1S/C16H28N2/c1-13(2)18-11-10-17-12-16(4,5)15-9-7-6-8-14(15)3/h6-9,13,17-18H,10-12H2,1-5H3
InChIKeyPBCDFUQZEFGHJF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.86
Rot. Bonds7

About N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine

N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206673) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206673
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccccc1C(C)(C)CNCCNC(C)C
InChIInChI=1S/C16H28N2/c1-13(2)18-11-10-17-12-16(4,5)15-9-7-6-8-14(15)3/h6-9,13,17-18H,10-12H2,1-5H3
InChIKeyPBCDFUQZEFGHJF-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine
CID 115207185
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
N-butan-2-yl-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115715576
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
3-methyl-4-[[2-methyl-2-(2-methylphenyl)propyl]amino]butanoic acid
CID 115220160
N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine (CID 115206673) is N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine is Cc1ccccc1C(C)(C)CNCCNC(C)C.
What is the InChIKey of N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PBCDFUQZEFGHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)18-11-10-17-12-16(4,5)15-9-7-6-8-14(15)3/h6-9,13,17-18H,10-12H2,1-5H3.
What are the key properties of N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine?
N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).