N-(3-methylcyclopentyl)-1-propylimidazol-2-amine

C12H21N3 — CID 106581825

IUPACN-(3-methylcyclopentyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NC1CCC(C)C1
InChIInChI=1S/C12H21N3/c1-3-7-15-8-6-13-12(15)14-11-5-4-10(2)9-11/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,13,14)
InChIKeyFTEBGTVWWFTQQO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds4

About N-(3-methylcyclopentyl)-1-propylimidazol-2-amine

N-(3-methylcyclopentyl)-1-propylimidazol-2-amine (PubChem CID 106581825) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-1-propylimidazol-2-amine
PubChem CID106581825
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(3-methylcyclopentyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NC1CCC(C)C1
InChIInChI=1S/C12H21N3/c1-3-7-15-8-6-13-12(15)14-11-5-4-10(2)9-11/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,13,14)
InChIKeyFTEBGTVWWFTQQO-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
The IUPAC name of N-(3-methylcyclopentyl)-1-propylimidazol-2-amine (CID 106581825) is N-(3-methylcyclopentyl)-1-propylimidazol-2-amine.
What is the SMILES notation for N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
The canonical SMILES for N-(3-methylcyclopentyl)-1-propylimidazol-2-amine is CCCn1ccnc1NC1CCC(C)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
The InChIKey is FTEBGTVWWFTQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-7-15-8-6-13-12(15)14-11-5-4-10(2)9-11/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
N-(3-methylcyclopentyl)-1-propylimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106581825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).