2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine

C20H32N2 — CID 166814225

IUPAC2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine
SMILESC=C(CCc1ccc(C)cc1C(=C)CC)NC(C)(C)CNC
InChIInChI=1S/C20H32N2/c1-8-16(3)19-13-15(2)9-11-18(19)12-10-17(4)22-20(5,6)14-21-7/h9,11,13,21-22H,3-4,8,10,12,14H2,1-2,5-7H3
InChIKeyMNCRQVJZJVYJFV-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.45
Rot. Bonds9

About 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 166814225) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID166814225
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine
SMILESC=C(CCc1ccc(C)cc1C(=C)CC)NC(C)(C)CNC
InChIInChI=1S/C20H32N2/c1-8-16(3)19-13-15(2)9-11-18(19)12-10-17(4)22-20(5,6)14-21-7/h9,11,13,21-22H,3-4,8,10,12,14H2,1-2,5-7H3
InChIKeyMNCRQVJZJVYJFV-UHFFFAOYSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine (CID 166814225) is 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine is C=C(CCc1ccc(C)cc1C(=C)CC)NC(C)(C)CNC.
What is the InChIKey of 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is MNCRQVJZJVYJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-8-16(3)19-13-15(2)9-11-18(19)12-10-17(4)22-20(5,6)14-21-7/h9,11,13,21-22H,3-4,8,10,12,14H2,1-2,5-7H3.
What are the key properties of 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 300.49 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-but-1-en-2-yl-4-methylphenyl)but-1-en-2-yl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 166814225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).