N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine

C13H21N3O — CID 114117964

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2cncn2C2CC2)C1
InChIInChI=1S/C13H21N3O/c1-17-13-5-2-10(6-13)15-8-12-7-14-9-16(12)11-3-4-11/h7,9-11,13,15H,2-6,8H2,1H3
InChIKeyXKJROMIAKOBVKO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine (PubChem CID 114117964) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
PubChem CID114117964
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2cncn2C2CC2)C1
InChIInChI=1S/C13H21N3O/c1-17-13-5-2-10(6-13)15-8-12-7-14-9-16(12)11-3-4-11/h7,9-11,13,15H,2-6,8H2,1H3
InChIKeyXKJROMIAKOBVKO-UHFFFAOYSA-N
XLogP1.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine (CID 114117964) is N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine is COC1CCC(NCc2cncn2C2CC2)C1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine?
The InChIKey is XKJROMIAKOBVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13-5-2-10(6-13)15-8-12-7-14-9-16(12)11-3-4-11/h7,9-11,13,15H,2-6,8H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 114117964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).