1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine

C15H26N2 — CID 62488447

IUPAC1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(CC(C)(C)C)CC(C)(N)c1ccccc1
InChIInChI=1S/C15H26N2/c1-14(2,3)11-17(5)12-15(4,16)13-9-7-6-8-10-13/h6-10H,11-12,16H2,1-5H3
InChIKeyLDJMQKBFCKVAPF-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.84
Rot. Bonds4

About 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine

1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine (PubChem CID 62488447) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
PubChem CID62488447
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(CC(C)(C)C)CC(C)(N)c1ccccc1
InChIInChI=1S/C15H26N2/c1-14(2,3)11-17(5)12-15(4,16)13-9-7-6-8-10-13/h6-10H,11-12,16H2,1-5H3
InChIKeyLDJMQKBFCKVAPF-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909
1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62489695
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 55055318
1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487226
1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
CID 62487917
1-N-[2-(dimethylamino)ethyl]-2-phenyl-1-N-propylpropane-1,2-diamine
CID 62487058
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
CID 79319905
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-phenylpropane-1,2-diamine
CID 102994341
N-(2,2-dimethylpropyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260878

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine (CID 62488447) is 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine is CN(CC(C)(C)C)CC(C)(N)c1ccccc1.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
The InChIKey is LDJMQKBFCKVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2,3)11-17(5)12-15(4,16)13-9-7-6-8-10-13/h6-10H,11-12,16H2,1-5H3.
What are the key properties of 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62488447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).