1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine

C12H21N3 — CID 83848563

IUPAC1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nc2c(n1C)CCCCC2
InChIInChI=1S/C12H21N3/c1-9(13)8-12-14-10-6-4-3-5-7-11(10)15(12)2/h9H,3-8,13H2,1-2H3
InChIKeyAISFQNUBKFEGJJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.58
Rot. Bonds2

About 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine

1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine (PubChem CID 83848563) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine
PubChem CID83848563
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nc2c(n1C)CCCCC2
InChIInChI=1S/C12H21N3/c1-9(13)8-12-14-10-6-4-3-5-7-11(10)15(12)2/h9H,3-8,13H2,1-2H3
InChIKeyAISFQNUBKFEGJJ-UHFFFAOYSA-N
XLogP1.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine (CID 83848563) is 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine is CC(N)Cc1nc2c(n1C)CCCCC2.
What is the InChIKey of 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine?
The InChIKey is AISFQNUBKFEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(13)8-12-14-10-6-4-3-5-7-11(10)15(12)2/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine?
1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine is sourced from PubChem (CID 83848563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).