1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine

C13H24N4 — CID 115041761

IUPAC1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
SMILESCC(C)(C)n1ccnc1NCCC1CCNC1
InChIInChI=1S/C13H24N4/c1-13(2,3)17-9-8-16-12(17)15-7-5-11-4-6-14-10-11/h8-9,11,14H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyFWLJQMGTUIJGFP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds4

About 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine

1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine (PubChem CID 115041761) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
PubChem CID115041761
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
SMILESCC(C)(C)n1ccnc1NCCC1CCNC1
InChIInChI=1S/C13H24N4/c1-13(2,3)17-9-8-16-12(17)15-7-5-11-4-6-14-10-11/h8-9,11,14H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyFWLJQMGTUIJGFP-UHFFFAOYSA-N
XLogP2.05
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine
CID 115055136
N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732524
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
1-methyl-N-(2-pyrrolidin-3-ylethyl)tetrazol-5-amine
CID 63623261
1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
CID 62929010
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine
CID 115054300
N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114401742
1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine
CID 115055130
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-4,5-dihydroimidazol-2-amine
CID 115034739
1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine?
The IUPAC name of 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine (CID 115041761) is 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine is CC(C)(C)n1ccnc1NCCC1CCNC1.
What is the InChIKey of 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine?
The InChIKey is FWLJQMGTUIJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)17-9-8-16-12(17)15-7-5-11-4-6-14-10-11/h8-9,11,14H,4-7,10H2,1-3H3,(H,15,16).
What are the key properties of 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine?
1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine is sourced from PubChem (CID 115041761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).