N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine

C13H24N4 — CID 78920904

IUPACN,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1ncc(CNCC2(N(C)C)CCCC2)[nH]1
InChIInChI=1S/C13H24N4/c1-11-15-9-12(16-11)8-14-10-13(17(2)3)6-4-5-7-13/h9,14H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyLFOGZLHXTAOLSW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds5

About N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 78920904) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine
PubChem CID78920904
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1ncc(CNCC2(N(C)C)CCCC2)[nH]1
InChIInChI=1S/C13H24N4/c1-11-15-9-12(16-11)8-14-10-13(17(2)3)6-4-5-7-13/h9,14H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyLFOGZLHXTAOLSW-UHFFFAOYSA-N
XLogP1.68
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine (CID 78920904) is N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine is Cc1ncc(CNCC2(N(C)C)CCCC2)[nH]1.
What is the InChIKey of N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is LFOGZLHXTAOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-15-9-12(16-11)8-14-10-13(17(2)3)6-4-5-7-13/h9,14H,4-8,10H2,1-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 78920904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).