1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine

C14H26N4 — CID 115055136

IUPAC1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine
SMILESCC(C)(C)n1ccnc1NCCC1CCNCC1
InChIInChI=1S/C14H26N4/c1-14(2,3)18-11-10-17-13(18)16-9-6-12-4-7-15-8-5-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyQKIAJEPRCBYCAP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.44
Rot. Bonds4

About 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine

1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine (PubChem CID 115055136) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine
PubChem CID115055136
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine
SMILESCC(C)(C)n1ccnc1NCCC1CCNCC1
InChIInChI=1S/C14H26N4/c1-14(2,3)18-11-10-17-13(18)16-9-6-12-4-7-15-8-5-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyQKIAJEPRCBYCAP-UHFFFAOYSA-N
XLogP2.44
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
CID 115041761
5-methyl-N-(2-piperidin-4-ylethyl)pyrimidin-2-amine
CID 116975989
N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79704882
N-[2-(4-methylcyclohexyl)ethyl]-1-propylimidazol-2-amine
CID 106574294
N-(2-cyclopentylethyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106563409
1-cyclohexyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575828
1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-4-amine
CID 103568741
N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732524

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine?
The IUPAC name of 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine (CID 115055136) is 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine is CC(C)(C)n1ccnc1NCCC1CCNCC1.
What is the InChIKey of 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine?
The InChIKey is QKIAJEPRCBYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)18-11-10-17-13(18)16-9-6-12-4-7-15-8-5-12/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine?
1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.44, 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-piperidin-4-ylethyl)imidazol-2-amine is sourced from PubChem (CID 115055136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).