N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine

C13H23N3O — CID 50948979

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc[nH]c1C)CC1CCCO1
InChIInChI=1S/C13H23N3O/c1-3-6-16(8-12-5-4-7-17-12)9-13-11(2)14-10-15-13/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeySBXJJAHIWIQKMJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds6

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 50948979) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID50948979
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc[nH]c1C)CC1CCCO1
InChIInChI=1S/C13H23N3O/c1-3-6-16(8-12-5-4-7-17-12)9-13-11(2)14-10-15-13/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeySBXJJAHIWIQKMJ-UHFFFAOYSA-N
XLogP2.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine (CID 50948979) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine is CCCN(Cc1nc[nH]c1C)CC1CCCO1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is SBXJJAHIWIQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-16(8-12-5-4-7-17-12)9-13-11(2)14-10-15-13/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 50948979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).