N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine

C14H23N3 — CID 107412322

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2cncn2C2CC2)C1
InChIInChI=1S/C14H23N3/c1-11-2-3-12(6-11)7-15-8-14-9-16-10-17(14)13-4-5-13/h9-13,15H,2-8H2,1H3
InChIKeyLUGKHYZQELFNIJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.74
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107412322) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107412322
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2cncn2C2CC2)C1
InChIInChI=1S/C14H23N3/c1-11-2-3-12(6-11)7-15-8-14-9-16-10-17(14)13-4-5-13/h9-13,15H,2-8H2,1H3
InChIKeyLUGKHYZQELFNIJ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107412322) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCc2cncn2C2CC2)C1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is LUGKHYZQELFNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-2-3-12(6-11)7-15-8-14-9-16-10-17(14)13-4-5-13/h9-13,15H,2-8H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107412322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).