4-propan-2-ylcyclohepta[d]imidazol-2-amine

C11H13N3 — CID 14948667

IUPAC4-propan-2-ylcyclohepta[d]imidazol-2-amine
SMILESCC(C)c1ccccc2nc(N)nc1-2
InChIInChI=1S/C11H13N3/c1-7(2)8-5-3-4-6-9-10(8)14-11(12)13-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyAITCJWVXDSBWIS-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.29
Rot. Bonds1

About 4-propan-2-ylcyclohepta[d]imidazol-2-amine

4-propan-2-ylcyclohepta[d]imidazol-2-amine (PubChem CID 14948667) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-propan-2-ylcyclohepta[d]imidazol-2-amine.

Molecular Properties

Compound Name4-propan-2-ylcyclohepta[d]imidazol-2-amine
PubChem CID14948667
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-propan-2-ylcyclohepta[d]imidazol-2-amine
SMILESCC(C)c1ccccc2nc(N)nc1-2
InChIInChI=1S/C11H13N3/c1-7(2)8-5-3-4-6-9-10(8)14-11(12)13-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyAITCJWVXDSBWIS-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70397314
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CID 63868334
2-(2-propan-2-ylphenyl)pyridine
CID 55253137
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
calcium bis(2-propan-2-ylphenolate)
CID 21315928
3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride
CID 156692790
4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 15435581
4-phenyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868472
3,8-di(propan-2-yl)quinolin-2-amine
CID 63231952
2-propan-2-ylaniline;2-propan-2-ylfuran
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6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde
CID 169180708

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohepta[d]imidazol-2-amine?
The IUPAC name of 4-propan-2-ylcyclohepta[d]imidazol-2-amine (CID 14948667) is 4-propan-2-ylcyclohepta[d]imidazol-2-amine.
What is the SMILES notation for 4-propan-2-ylcyclohepta[d]imidazol-2-amine?
The canonical SMILES for 4-propan-2-ylcyclohepta[d]imidazol-2-amine is CC(C)c1ccccc2nc(N)nc1-2.
What is the InChIKey of 4-propan-2-ylcyclohepta[d]imidazol-2-amine?
The InChIKey is AITCJWVXDSBWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7(2)8-5-3-4-6-9-10(8)14-11(12)13-9/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of 4-propan-2-ylcyclohepta[d]imidazol-2-amine?
4-propan-2-ylcyclohepta[d]imidazol-2-amine has a molecular weight of 187.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohepta[d]imidazol-2-amine is sourced from PubChem (CID 14948667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).