1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine

C16H28N2 — CID 79053289

IUPAC1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
SMILESCCCc1ccc(C(NC)C(C)(C)N(C)C)cc1
InChIInChI=1S/C16H28N2/c1-7-8-13-9-11-14(12-10-13)15(17-4)16(2,3)18(5)6/h9-12,15,17H,7-8H2,1-6H3
InChIKeyPCHHUIMWASRAPS-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.24
Rot. Bonds6

About 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine

1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine (PubChem CID 79053289) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
PubChem CID79053289
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
SMILESCCCc1ccc(C(NC)C(C)(C)N(C)C)cc1
InChIInChI=1S/C16H28N2/c1-7-8-13-9-11-14(12-10-13)15(17-4)16(2,3)18(5)6/h9-12,15,17H,7-8H2,1-6H3
InChIKeyPCHHUIMWASRAPS-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79054269
1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79052895
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
dimethylamino-(4-propylphenyl)methanethiol
CID 116909375
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
CID 116544650
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine (CID 79053289) is 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine is CCCc1ccc(C(NC)C(C)(C)N(C)C)cc1.
What is the InChIKey of 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine?
The InChIKey is PCHHUIMWASRAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-8-13-9-11-14(12-10-13)15(17-4)16(2,3)18(5)6/h9-12,15,17H,7-8H2,1-6H3.
What are the key properties of 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine?
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine is sourced from PubChem (CID 79053289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).