N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine

C14H25N3O — CID 79927780

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC(Cn1ccnc1)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25N3O/c1-11(9-17-7-6-15-10-17)16-12-8-13(2,3)18-14(12,4)5/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyRKIWZIHXNDHXAJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.21
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine

N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79927780) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79927780
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC(Cn1ccnc1)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25N3O/c1-11(9-17-7-6-15-10-17)16-12-8-13(2,3)18-14(12,4)5/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyRKIWZIHXNDHXAJ-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895086
N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821543
(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297092
2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine
CID 79928275
N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091735
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
3-(1-imidazol-1-ylpropan-2-ylamino)azepan-2-one
CID 54958570
1-(2-methylbutyl)imidazole
CID 59161437
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79927780) is N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine is CC(Cn1ccnc1)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is RKIWZIHXNDHXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(9-17-7-6-15-10-17)16-12-8-13(2,3)18-14(12,4)5/h6-7,10-12,16H,8-9H2,1-5H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79927780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).