N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine

C13H23N3 — CID 117192902

IUPACN-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
SMILESCc1ncc(CNC2CCCC2)n1C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)16-11(3)14-8-13(16)9-15-12-6-4-5-7-12/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeyVBDKSPLQLRGEGR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.80
Rot. Bonds4

About N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine

N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine (PubChem CID 117192902) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
PubChem CID117192902
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
SMILESCc1ncc(CNC2CCCC2)n1C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)16-11(3)14-8-13(16)9-15-12-6-4-5-7-12/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeyVBDKSPLQLRGEGR-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine (CID 117192902) is N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine is Cc1ncc(CNC2CCCC2)n1C(C)C.
What is the InChIKey of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine?
The InChIKey is VBDKSPLQLRGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)16-11(3)14-8-13(16)9-15-12-6-4-5-7-12/h8,10,12,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine?
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine has a molecular weight of 221.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117192902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).