N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine

C18H30N2 — CID 154970033

IUPACN'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C(CC)c1cc(C)ccc1CCCN(C)CCNC
InChIInChI=1S/C18H30N2/c1-6-16(3)18-14-15(2)9-10-17(18)8-7-12-20(5)13-11-19-4/h9-10,14,19H,3,6-8,11-13H2,1-2,4-5H3
InChIKeyHLMJXJFVTIPCLI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.50
Rot. Bonds9

About N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine

N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 154970033) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID154970033
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C(CC)c1cc(C)ccc1CCCN(C)CCNC
InChIInChI=1S/C18H30N2/c1-6-16(3)18-14-15(2)9-10-17(18)8-7-12-20(5)13-11-19-4/h9-10,14,19H,3,6-8,11-13H2,1-2,4-5H3
InChIKeyHLMJXJFVTIPCLI-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-but-1-en-2-yl-4-methylphenyl)hexan-1-amine
CID 166814378
5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine
CID 154969605
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
2-but-1-en-2-yl-4-methylphenol
CID 142975945
N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202182
3-(5-methyl-2-propylphenyl)but-3-enoic acid
CID 123682201
methyl 5-methyl-2-[6-(methylamino)hexyl]benzoate
CID 154969812
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine
CID 154970163
2-but-1-en-2-yl-1,4-dimethylbenzene;ethane;2-methylbut-1-ene;2-methylpropane;1,2,4-trimethylbenzene
CID 142019907
2-but-1-en-2-yl-5-methylbenzoic acid
CID 124704761
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine (CID 154970033) is N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine is C=C(CC)c1cc(C)ccc1CCCN(C)CCNC.
What is the InChIKey of N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HLMJXJFVTIPCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-16(3)18-14-15(2)9-10-17(18)8-7-12-20(5)13-11-19-4/h9-10,14,19H,3,6-8,11-13H2,1-2,4-5H3.
What are the key properties of N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine?
N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 154970033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).