N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine

C10H17N3O — CID 63000749

IUPACN-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESc1ncc(CNCC2CCOCC2)[nH]1
InChIInChI=1S/C10H17N3O/c1-3-14-4-2-9(1)5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyVQIPQMOTZWUUBR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.93
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine

N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine (PubChem CID 63000749) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine
PubChem CID63000749
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESc1ncc(CNCC2CCOCC2)[nH]1
InChIInChI=1S/C10H17N3O/c1-3-14-4-2-9(1)5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyVQIPQMOTZWUUBR-UHFFFAOYSA-N
XLogP0.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine (CID 63000749) is N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine is c1ncc(CNCC2CCOCC2)[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine?
The InChIKey is VQIPQMOTZWUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-14-4-2-9(1)5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine?
N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 63000749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).