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

C17H30N2 — CID 115222338

IUPAC1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
SMILESCNC(C)(C)CN(C)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-14(2)11-15-7-9-16(10-8-15)12-19(6)13-17(3,4)18-5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyIXOHRELHBCUVQM-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.31
Rot. Bonds7

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

1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine (PubChem CID 115222338) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
PubChem CID115222338
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
SMILESCNC(C)(C)CN(C)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-14(2)11-15-7-9-16(10-8-15)12-19(6)13-17(3,4)18-5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyIXOHRELHBCUVQM-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222331
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
2-hydroxy-N,2-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 115178830
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-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115132013
1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115222369
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine (CID 115222338) is 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine is CNC(C)(C)CN(C)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is IXOHRELHBCUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)11-15-7-9-16(10-8-15)12-19(6)13-17(3,4)18-5/h7-10,14,18H,11-13H2,1-6H3.
What are the key properties of 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 115222338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).