2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete

C19H31N3 — CID 58690908

IUPAC2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete
SMILESCC(C)C1=CC(C(C2CC(C(C)C)=N2)C2CC(C(C)C)=N2)N1
InChIInChI=1S/C19H31N3/c1-10(2)13-7-16(20-13)19(17-8-14(21-17)11(3)4)18-9-15(22-18)12(5)6/h7,10-12,16-20H,8-9H2,1-6H3
InChIKeyDIHYEHAWGLZMJY-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.85
Rot. Bonds6

About 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete

2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete (PubChem CID 58690908) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete.

Molecular Properties

Compound Name2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete
PubChem CID58690908
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete
SMILESCC(C)C1=CC(C(C2CC(C(C)C)=N2)C2CC(C(C)C)=N2)N1
InChIInChI=1S/C19H31N3/c1-10(2)13-7-16(20-13)19(17-8-14(21-17)11(3)4)18-9-15(22-18)12(5)6/h7,10-12,16-20H,8-9H2,1-6H3
InChIKeyDIHYEHAWGLZMJY-UHFFFAOYSA-N
XLogP3.85
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete;zirconium
CID 58690907
2-Propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete;zirconium
CID 58690912
4-Ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
CID 58915532
2-[Bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-4-ethyl-1,2-dihydroazete
CID 59593610
1-N-[1-(3,4,4a,5-tetrahydroquinolin-2-yl)ethyl]-1,2,8,8a-tetrahydronaphthalene-1,8-diamine
CID 89643388
[1-[4-(Ethylamino)cyclohex-3-en-1-yl]-4-methylpentan-3-ylidene]-methyl-(4-methylpent-1-en-2-yl)azanium
CID 123249569
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143440305
(9Z)-5-buta-1,3-dien-2-yl-N-methyl-4-(3-methylbutan-2-ylideneamino)-8-methylideneundeca-1,9-dien-2-amine
CID 166966004
(9Z)-5-buta-1,3-dien-2-yl-4-(butan-2-ylideneamino)-N-methyl-8-methylideneundeca-1,9-dien-2-amine
CID 167310537
N-[(2Z,4Z)-6-methylhepta-2,4,6-trien-2-yl]-2-methylidene-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-3-[(Z)-prop-1-enyl]tridecan-1-amine
CID 173709383
2-Propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
CID 58690913

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete?
The IUPAC name of 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete (CID 58690908) is 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete.
What is the SMILES notation for 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete?
The canonical SMILES for 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete is CC(C)C1=CC(C(C2CC(C(C)C)=N2)C2CC(C(C)C)=N2)N1.
What is the InChIKey of 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete?
The InChIKey is DIHYEHAWGLZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-10(2)13-7-16(20-13)19(17-8-14(21-17)11(3)4)18-9-15(22-18)12(5)6/h7,10-12,16-20H,8-9H2,1-6H3.
What are the key properties of 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete?
2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete has a molecular weight of 301.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete is sourced from PubChem (CID 58690908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).