N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine

C14H21N3O — CID 62065086

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
SMILESC1=COC(CNC2CCCC2n2ccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-9-18-12(4-1)10-16-13-5-3-6-14(13)17-8-7-15-11-17/h2,7-9,11-14,16H,1,3-6,10H2
InChIKeyIVNSOGYYYMGMHN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 62065086) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID62065086
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
SMILESC1=COC(CNC2CCCC2n2ccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-9-18-12(4-1)10-16-13-5-3-6-14(13)17-8-7-15-11-17/h2,7-9,11-14,16H,1,3-6,10H2
InChIKeyIVNSOGYYYMGMHN-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine (CID 62065086) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine is C1=COC(CNC2CCCC2n2ccnc2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is IVNSOGYYYMGMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-9-18-12(4-1)10-16-13-5-3-6-14(13)17-8-7-15-11-17/h2,7-9,11-14,16H,1,3-6,10H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 62065086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).