2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine

C7H15N3 — CID 55291512

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)C1=NCCN1
InChIInChI=1S/C7H15N3/c1-3-7(2,8)6-9-4-5-10-6/h3-5,8H2,1-2H3,(H,9,10)
InChIKeyVORYYYKFQVNSLR-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.12
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine

2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine (PubChem CID 55291512) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine
PubChem CID55291512
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)C1=NCCN1
InChIInChI=1S/C7H15N3/c1-3-7(2,8)6-9-4-5-10-6/h3-5,8H2,1-2H3,(H,9,10)
InChIKeyVORYYYKFQVNSLR-UHFFFAOYSA-N
XLogP0.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine (CID 55291512) is 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine is CCC(C)(N)C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine?
The InChIKey is VORYYYKFQVNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-7(2,8)6-9-4-5-10-6/h3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine?
2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine has a molecular weight of 141.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine is sourced from PubChem (CID 55291512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).