2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine

C17H30N2 — CID 107473516

IUPAC2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCc1ccccc1)CC(CN)CC(C)(C)C
InChIInChI=1S/C17H30N2/c1-17(2,3)12-16(13-18)14-19(4)11-10-15-8-6-5-7-9-15/h5-9,16H,10-14,18H2,1-4H3
InChIKeyJQCANXYFFIMODM-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.17
Rot. Bonds7

About 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine

2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine (PubChem CID 107473516) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
PubChem CID107473516
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCc1ccccc1)CC(CN)CC(C)(C)C
InChIInChI=1S/C17H30N2/c1-17(2,3)12-16(13-18)14-19(4)11-10-15-8-6-5-7-9-15/h5-9,16H,10-14,18H2,1-4H3
InChIKeyJQCANXYFFIMODM-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 65487082
1-[[methyl(2-phenylethyl)amino]methyl]cyclopropan-1-amine
CID 65487507
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine (CID 107473516) is 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine is CN(CCc1ccccc1)CC(CN)CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The InChIKey is JQCANXYFFIMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-17(2,3)12-16(13-18)14-19(4)11-10-15-8-6-5-7-9-15/h5-9,16H,10-14,18H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 107473516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).