2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine

C16H28N2 — CID 115132013

IUPAC2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
SMILESCC(C)Cc1ccc(CN(C)C(C)(C)CN)cc1
InChIInChI=1S/C16H28N2/c1-13(2)10-14-6-8-15(9-7-14)11-18(5)16(3,4)12-17/h6-9,13H,10-12,17H2,1-5H3
InChIKeyGJQWBWAROVSELI-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.05
Rot. Bonds6

About 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine

2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine (PubChem CID 115132013) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
PubChem CID115132013
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
SMILESCC(C)Cc1ccc(CN(C)C(C)(C)CN)cc1
InChIInChI=1S/C16H28N2/c1-13(2)10-14-6-8-15(9-7-14)11-18(5)16(3,4)12-17/h6-9,13H,10-12,17H2,1-5H3
InChIKeyGJQWBWAROVSELI-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 115132029
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 95443580
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115222338
3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
CID 115134836
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
2-N-[(4-chlorophenyl)methyl]-2-N,2,3-trimethylbutane-1,2-diamine
CID 61414640
2-hydroxy-N,2-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 115178830
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
CID 115136839
1-N-methyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]butane-1,3-diamine
CID 115199389
2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 64773049

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine (CID 115132013) is 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine is CC(C)Cc1ccc(CN(C)C(C)(C)CN)cc1.
What is the InChIKey of 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is GJQWBWAROVSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)10-14-6-8-15(9-7-14)11-18(5)16(3,4)12-17/h6-9,13H,10-12,17H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 115132013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).