N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

C15H26N2 — CID 61324922

IUPACN-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-15(2,3)12-16-14(11-17(4)5)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3
InChIKeyRGLAKINKSFTULI-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.92
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 61324922) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID61324922
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-15(2,3)12-16-14(11-17(4)5)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3
InChIKeyRGLAKINKSFTULI-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
CID 43100072
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 116500789
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43203953
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834
N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824238

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 61324922) is N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is CN(C)CC(NCC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is RGLAKINKSFTULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-15(2,3)12-16-14(11-17(4)5)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 61324922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).