N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine

C13H23N3O2 — CID 106569905

IUPACN-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NC1CCCC1OC
InChIInChI=1S/C13H23N3O2/c1-17-10-4-8-16-9-7-14-13(16)15-11-5-3-6-12(11)18-2/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeySUWZFKJSVRRTAL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.90
Rot. Bonds7

About N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106569905) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106569905
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NC1CCCC1OC
InChIInChI=1S/C13H23N3O2/c1-17-10-4-8-16-9-7-14-13(16)15-11-5-3-6-12(11)18-2/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeySUWZFKJSVRRTAL-UHFFFAOYSA-N
XLogP1.90
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106569905) is N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1NC1CCCC1OC.
What is the InChIKey of N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is SUWZFKJSVRRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-17-10-4-8-16-9-7-14-13(16)15-11-5-3-6-12(11)18-2/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106569905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).