1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine

C16H28N2 — CID 66454544

IUPAC1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)CCc1ccccc1
InChIInChI=1S/C16H28N2/c1-14(17-4)16(2,3)13-18(5)12-11-15-9-7-6-8-10-15/h6-10,14,17H,11-13H2,1-5H3
InChIKeyQDLNWUXXLLQYBD-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.80
Rot. Bonds7

About 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine

1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine (PubChem CID 66454544) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
PubChem CID66454544
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)CCc1ccccc1
InChIInChI=1S/C16H28N2/c1-14(17-4)16(2,3)13-18(5)12-11-15-9-7-6-8-10-15/h6-10,14,17H,11-13H2,1-5H3
InChIKeyQDLNWUXXLLQYBD-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
CID 63699668
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
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
CID 65486891
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine (CID 66454544) is 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine is CNC(C)C(C)(C)CN(C)CCc1ccccc1.
What is the InChIKey of 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine?
The InChIKey is QDLNWUXXLLQYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(17-4)16(2,3)13-18(5)12-11-15-9-7-6-8-10-15/h6-10,14,17H,11-13H2,1-5H3.
What are the key properties of 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine?
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine is sourced from PubChem (CID 66454544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).