(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine

C11H19N3 — CID 82373833

IUPAC(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine
SMILESCC(C)(C)c1nc(C2CC2)[nH]c1CN
InChIInChI=1S/C11H19N3/c1-11(2,3)9-8(6-12)13-10(14-9)7-4-5-7/h7H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyFTUKDBFOCPSNDG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds2

About (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine

(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine (PubChem CID 82373833) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine
PubChem CID82373833
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine
SMILESCC(C)(C)c1nc(C2CC2)[nH]c1CN
InChIInChI=1S/C11H19N3/c1-11(2,3)9-8(6-12)13-10(14-9)7-4-5-7/h7H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyFTUKDBFOCPSNDG-UHFFFAOYSA-N
XLogP2.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dicyclopropyl-1H-imidazol-5-yl)methanamine
CID 82373863
4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
CID 105478440
(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373832
[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine
CID 96589936
(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine
CID 82373843
[2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine
CID 165498313
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972855
4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136987597
4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde
CID 105438952
(4-cyclopentyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373877
6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106478274
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine
CID 61336979

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine (CID 82373833) is (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine is CC(C)(C)c1nc(C2CC2)[nH]c1CN.
What is the InChIKey of (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine?
The InChIKey is FTUKDBFOCPSNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)9-8(6-12)13-10(14-9)7-4-5-7/h7H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine?
(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 82373833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).