N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

C12H21N3O — CID 50981937

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCN(CCCC1CCCO1)Cc1ncc[nH]1
InChIInChI=1S/C12H21N3O/c1-15(10-12-13-6-7-14-12)8-2-4-11-5-3-9-16-11/h6-7,11H,2-5,8-10H2,1H3,(H,13,14)
InChIKeyIRZDNYWRVYPMIA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.80
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 50981937) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID50981937
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCN(CCCC1CCCO1)Cc1ncc[nH]1
InChIInChI=1S/C12H21N3O/c1-15(10-12-13-6-7-14-12)8-2-4-11-5-3-9-16-11/h6-7,11H,2-5,8-10H2,1H3,(H,13,14)
InChIKeyIRZDNYWRVYPMIA-UHFFFAOYSA-N
XLogP1.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 50981937) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CN(CCCC1CCCO1)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is IRZDNYWRVYPMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15(10-12-13-6-7-14-12)8-2-4-11-5-3-9-16-11/h6-7,11H,2-5,8-10H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 50981937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).