1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

C10H21N3O — CID 116981431

IUPAC1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(CCCN)C(=O)N1C
InChIInChI=1S/C10H21N3O/c1-8(2)9-7-13(6-4-5-11)10(14)12(9)3/h8-9H,4-7,11H2,1-3H3
InChIKeySZRUAJLNKSPSTQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.73
Rot. Bonds4

About 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 116981431) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID116981431
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(CCCN)C(=O)N1C
InChIInChI=1S/C10H21N3O/c1-8(2)9-7-13(6-4-5-11)10(14)12(9)3/h8-9H,4-7,11H2,1-3H3
InChIKeySZRUAJLNKSPSTQ-UHFFFAOYSA-N
XLogP0.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (CID 116981431) is 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(CCCN)C(=O)N1C.
What is the InChIKey of 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is SZRUAJLNKSPSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)9-7-13(6-4-5-11)10(14)12(9)3/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 199.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 116981431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).