2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine

C16H28N2 — CID 115252515

IUPAC2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1ccc(CNCC(CN)C(C)C)c(C)c1C
InChIInChI=1S/C16H28N2/c1-11(2)16(8-17)10-18-9-15-7-6-12(3)13(4)14(15)5/h6-7,11,16,18H,8-10,17H2,1-5H3
InChIKeyYVZDLKLYTPQLHO-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.93
Rot. Bonds6

About 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine

2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine (PubChem CID 115252515) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine
PubChem CID115252515
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1ccc(CNCC(CN)C(C)C)c(C)c1C
InChIInChI=1S/C16H28N2/c1-11(2)16(8-17)10-18-9-15-7-6-12(3)13(4)14(15)5/h6-7,11,16,18H,8-10,17H2,1-5H3
InChIKeyYVZDLKLYTPQLHO-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol
CID 115121441
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine
CID 115225803
3-methyl-2-[[(2,3,4-trimethylphenyl)methylamino]methyl]butanoic acid
CID 115250349
N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442462
[(2,3,4-trimethylphenyl)methylamino]methanethiol
CID 115228002
N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442907
N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463
N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
CID 116931239
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine (CID 115252515) is 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine is Cc1ccc(CNCC(CN)C(C)C)c(C)c1C.
What is the InChIKey of 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is YVZDLKLYTPQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)16(8-17)10-18-9-15-7-6-12(3)13(4)14(15)5/h6-7,11,16,18H,8-10,17H2,1-5H3.
What are the key properties of 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine?
2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115252515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).