1-imidazolidin-1-ylbutan-1-amine

C7H17N3 — CID 19604011

IUPAC1-imidazolidin-1-ylbutan-1-amine
SMILESCCCC(N)N1CCNC1
InChIInChI=1S/C7H17N3/c1-2-3-7(8)10-5-4-9-6-10/h7,9H,2-6,8H2,1H3
InChIKeyJIUNBUNRLDSVOJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.07
Rot. Bonds3

About 1-imidazolidin-1-ylbutan-1-amine

1-imidazolidin-1-ylbutan-1-amine (PubChem CID 19604011) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-imidazolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-imidazolidin-1-ylbutan-1-amine
PubChem CID19604011
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-imidazolidin-1-ylbutan-1-amine
SMILESCCCC(N)N1CCNC1
InChIInChI=1S/C7H17N3/c1-2-3-7(8)10-5-4-9-6-10/h7,9H,2-6,8H2,1H3
InChIKeyJIUNBUNRLDSVOJ-UHFFFAOYSA-N
XLogP-0.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imidazolidin-1-ylbutan-1-amine?
The IUPAC name of 1-imidazolidin-1-ylbutan-1-amine (CID 19604011) is 1-imidazolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-imidazolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-imidazolidin-1-ylbutan-1-amine is CCCC(N)N1CCNC1.
What is the InChIKey of 1-imidazolidin-1-ylbutan-1-amine?
The InChIKey is JIUNBUNRLDSVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-2-3-7(8)10-5-4-9-6-10/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-imidazolidin-1-ylbutan-1-amine?
1-imidazolidin-1-ylbutan-1-amine has a molecular weight of 143.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazolidin-1-ylbutan-1-amine is sourced from PubChem (CID 19604011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).