1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione

C12H24N4O2 — CID 154146369

IUPAC1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(CCCN)C(=O)N(CCCN)C1=O
InChIInChI=1S/C12H24N4O2/c1-12(2)9-15(7-3-5-13)11(18)16(10(12)17)8-4-6-14/h3-9,13-14H2,1-2H3
InChIKeyLQSNEYBHACKMDP-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.03
Rot. Bonds6

About 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione

1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 154146369) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione
PubChem CID154146369
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(CCCN)C(=O)N(CCCN)C1=O
InChIInChI=1S/C12H24N4O2/c1-12(2)9-15(7-3-5-13)11(18)16(10(12)17)8-4-6-14/h3-9,13-14H2,1-2H3
InChIKeyLQSNEYBHACKMDP-UHFFFAOYSA-N
XLogP-0.03
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)-3-methylimidazolidin-2-one
CID 59225431
3-(3-aminopropyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82147926
3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
CID 82147925
1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 106708431
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
CID 79937549
1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
1-(3-aminopropyl)-4-methylpiperazin-2-one
CID 69460716
6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one
CID 115068146
1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 116981431

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione (CID 154146369) is 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione is CC1(C)CN(CCCN)C(=O)N(CCCN)C1=O.
What is the InChIKey of 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is LQSNEYBHACKMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-12(2)9-15(7-3-5-13)11(18)16(10(12)17)8-4-6-14/h3-9,13-14H2,1-2H3.
What are the key properties of 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione?
1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 256.35 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 154146369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).