1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

C13H24N4 — CID 104943564

IUPAC1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESC[C@H](N)c1cncn1CC1(N(C)C)CCCC1
InChIInChI=1S/C13H24N4/c1-11(14)12-8-15-10-17(12)9-13(16(2)3)6-4-5-7-13/h8,10-11H,4-7,9,14H2,1-3H3/t11-/m0/s1
InChIKeyMFYJQBVAKCFLHY-NSHDSACASA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds4

About 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 104943564) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID104943564
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESC[C@H](N)c1cncn1CC1(N(C)C)CCCC1
InChIInChI=1S/C13H24N4/c1-11(14)12-8-15-10-17(12)9-13(16(2)3)6-4-5-7-13/h8,10-11H,4-7,9,14H2,1-3H3/t11-/m0/s1
InChIKeyMFYJQBVAKCFLHY-NSHDSACASA-N
XLogP1.78
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (CID 104943564) is 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is C[C@H](N)c1cncn1CC1(N(C)C)CCCC1.
What is the InChIKey of 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is MFYJQBVAKCFLHY-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4/c1-11(14)12-8-15-10-17(12)9-13(16(2)3)6-4-5-7-13/h8,10-11H,4-7,9,14H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 104943564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).