3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione

C15H26N2O2 — CID 146179863

IUPAC3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
SMILESCCN(C)CCCCN(C)c1c(C(C)C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-6-16(4)9-7-8-10-17(5)13-12(11(2)3)14(18)15(13)19/h11H,6-10H2,1-5H3
InChIKeyORQLAQQEDWIPMH-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.57
Rot. Bonds8

About 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione

3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione (PubChem CID 146179863) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
PubChem CID146179863
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
SMILESCCN(C)CCCCN(C)c1c(C(C)C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-6-16(4)9-7-8-10-17(5)13-12(11(2)3)14(18)15(13)19/h11H,6-10H2,1-5H3
InChIKeyORQLAQQEDWIPMH-UHFFFAOYSA-N
XLogP1.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 58557785
3-[methyl-[2-[2-[methyl(propyl)amino]ethoxy]ethyl]amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 146179860
3-[3-[ethyl(propyl)amino]propyl-methylamino]-2-propan-2-yl-4-sulfanylidenecyclobut-2-en-1-one
CID 167267503
3-tert-butyl-2-[4-[ethyl(methyl)amino]butyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438655
3-[methyl-[4-(methylamino)butyl]amino]-2-propan-2-yl-4-sulfanylidenecyclobut-2-en-1-one
CID 146180671
ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione
CID 155599654
3-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dithione
CID 146180068
3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 155278362
2-tert-butyl-3-[3-[ethyl(methyl)amino]propyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one;ethane
CID 155719744
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
N-ethyl-N-methyltridecan-1-amine
CID 71442842
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247

Frequently Asked Questions

What is the IUPAC name of 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione (CID 146179863) is 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione is CCN(C)CCCCN(C)c1c(C(C)C)c(=O)c1=O.
What is the InChIKey of 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
The InChIKey is ORQLAQQEDWIPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-16(4)9-7-8-10-17(5)13-12(11(2)3)14(18)15(13)19/h11H,6-10H2,1-5H3.
What are the key properties of 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione has a molecular weight of 266.38 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 146179863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).