N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C13H23N3O — CID 104611933

IUPACN-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCOC1(c2ncc(CNC(C)C)[nH]2)CCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)14-8-11-9-15-12(16-11)13(17-3)6-4-5-7-13/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyKFKXEGMZVDRYTR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds5

About N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 104611933) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID104611933
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCOC1(c2ncc(CNC(C)C)[nH]2)CCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)14-8-11-9-15-12(16-11)13(17-3)6-4-5-7-13/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyKFKXEGMZVDRYTR-UHFFFAOYSA-N
XLogP2.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 104611933) is N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine is COC1(c2ncc(CNC(C)C)[nH]2)CCCC1.
What is the InChIKey of N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is KFKXEGMZVDRYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)14-8-11-9-15-12(16-11)13(17-3)6-4-5-7-13/h9-10,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 104611933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).