1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine

C19H36N4 — CID 122628409

IUPAC1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine
SMILESCN(C)CCC(CN(C)C)NCCN(C)CCc1ccccc1
InChIInChI=1S/C19H36N4/c1-21(2)14-12-19(17-22(3)4)20-13-16-23(5)15-11-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3
InChIKeyDDIUGWPOQFNJEZ-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.63
Rot. Bonds12

About 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine

1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine (PubChem CID 122628409) has the molecular formula C19H36N4 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine
PubChem CID122628409
Molecular FormulaC19H36N4
Molecular Weight320.52 g/mol
Exact Mass320.29
IUPAC Name1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine
SMILESCN(C)CCC(CN(C)C)NCCN(C)CCc1ccccc1
InChIInChI=1S/C19H36N4/c1-21(2)14-12-19(17-22(3)4)20-13-16-23(5)15-11-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3
InChIKeyDDIUGWPOQFNJEZ-UHFFFAOYSA-N
XLogP1.63
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine with MolForge

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Related Compounds

1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070
1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine
CID 130303694
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine (CID 122628409) is 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine is CN(C)CCC(CN(C)C)NCCN(C)CCc1ccccc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine?
The InChIKey is DDIUGWPOQFNJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4/c1-21(2)14-12-19(17-22(3)4)20-13-16-23(5)15-11-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine?
1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine has a molecular weight of 320.52 g/mol, XLogP of 1.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine is sourced from PubChem (CID 122628409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).