2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine

C18H32N2 — CID 116544650

IUPAC2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
SMILESCCCc1cccc(C(NC)C(C)(C)N(CC)CC)c1
InChIInChI=1S/C18H32N2/c1-7-11-15-12-10-13-16(14-15)17(19-6)18(4,5)20(8-2)9-3/h10,12-14,17,19H,7-9,11H2,1-6H3
InChIKeyJMWYWCUGVRXYOD-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.02
Rot. Bonds8

About 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine

2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine (PubChem CID 116544650) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
PubChem CID116544650
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
SMILESCCCc1cccc(C(NC)C(C)(C)N(CC)CC)c1
InChIInChI=1S/C18H32N2/c1-7-11-15-12-10-13-16(14-15)17(19-6)18(4,5)20(8-2)9-3/h10,12-14,17,19H,7-9,11H2,1-6H3
InChIKeyJMWYWCUGVRXYOD-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine
CID 116544674
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 116544657
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
N,N-diethyl-1-(3-ethylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240787
1-(3-propylphenyl)ethanamine
CID 116543909
2-N,2-N-diethyl-1-(3-methoxyphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79068906

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine (CID 116544650) is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine is CCCc1cccc(C(NC)C(C)(C)N(CC)CC)c1.
What is the InChIKey of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine?
The InChIKey is JMWYWCUGVRXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-11-15-12-10-13-16(14-15)17(19-6)18(4,5)20(8-2)9-3/h10,12-14,17,19H,7-9,11H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine is sourced from PubChem (CID 116544650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).