2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine

C18H32N2 — CID 83927537

IUPAC2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
SMILESCCc1ccc(C(C)(C)C)cc1C(C)CC(CN)CN
InChIInChI=1S/C18H32N2/c1-6-15-7-8-16(18(3,4)5)10-17(15)13(2)9-14(11-19)12-20/h7-8,10,13-14H,6,9,11-12,19-20H2,1-5H3
InChIKeyMYGXDAINHVPPKP-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.57
Rot. Bonds6

About 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine

2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine (PubChem CID 83927537) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
PubChem CID83927537
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
SMILESCCc1ccc(C(C)(C)C)cc1C(C)CC(CN)CN
InChIInChI=1S/C18H32N2/c1-6-15-7-8-16(18(3,4)5)10-17(15)13(2)9-14(11-19)12-20/h7-8,10,13-14H,6,9,11-12,19-20H2,1-5H3
InChIKeyMYGXDAINHVPPKP-UHFFFAOYSA-N
XLogP3.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol
CID 83927642
2-(4-bromobutan-2-yl)-4-tert-butyl-1-ethylbenzene
CID 83927529
4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene
CID 83927610
2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine
CID 83927536
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]-3-ethyloxirane
CID 83927621
1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003
2-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277659
2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine
CID 83943036
2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83941785
3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83927558
4-tert-butyl-1-ethyl-2-hex-5-yn-3-ylbenzene
CID 83927601
3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83927557

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine (CID 83927537) is 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine is CCc1ccc(C(C)(C)C)cc1C(C)CC(CN)CN.
What is the InChIKey of 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine?
The InChIKey is MYGXDAINHVPPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-15-7-8-16(18(3,4)5)10-17(15)13(2)9-14(11-19)12-20/h7-8,10,13-14H,6,9,11-12,19-20H2,1-5H3.
What are the key properties of 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine?
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83927537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).