N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine

C12H23N3 — CID 104921054

IUPACN-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC[C@@H](NC1=NCCN1)C1CCCCCC1
InChIInChI=1S/C12H23N3/c1-10(15-12-13-8-9-14-12)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,13,14,15)/t10-/m1/s1
InChIKeySJCDCTUHCJCWCR-SNVBAGLBSA-N
MW209.34 g/mol
LogP1.89
Rot. Bonds2

About N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 104921054) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID104921054
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC[C@@H](NC1=NCCN1)C1CCCCCC1
InChIInChI=1S/C12H23N3/c1-10(15-12-13-8-9-14-12)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,13,14,15)/t10-/m1/s1
InChIKeySJCDCTUHCJCWCR-SNVBAGLBSA-N
XLogP1.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 104921054) is N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine is C[C@@H](NC1=NCCN1)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SJCDCTUHCJCWCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(15-12-13-8-9-14-12)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,13,14,15)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 104921054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).