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

C11H19N3O — CID 61482334

IUPAC1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-10(8-14-5-4-12-9-14)13-7-11-3-2-6-15-11/h4-5,9-11,13H,2-3,6-8H2,1H3
InChIKeyPFIRJQVMANGIRW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds5

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

1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine (PubChem CID 61482334) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine
PubChem CID61482334
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-10(8-14-5-4-12-9-14)13-7-11-3-2-6-15-11/h4-5,9-11,13H,2-3,6-8H2,1H3
InChIKeyPFIRJQVMANGIRW-UHFFFAOYSA-N
XLogP1.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131787
N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
CID 65164054
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine (CID 61482334) is 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine is CC(Cn1ccnc1)NCC1CCCO1.
What is the InChIKey of 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine?
The InChIKey is PFIRJQVMANGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(8-14-5-4-12-9-14)13-7-11-3-2-6-15-11/h4-5,9-11,13H,2-3,6-8H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine?
1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 61482334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).