N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine

C14H25N3O — CID 77079753

IUPACN-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine
SMILESCN(CCn1cccn1)CC1CCOC(C)(C)C1
InChIInChI=1S/C14H25N3O/c1-14(2)11-13(5-10-18-14)12-16(3)8-9-17-7-4-6-15-17/h4,6-7,13H,5,8-12H2,1-3H3
InChIKeyZHORNKDTEUUORT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.02
Rot. Bonds5

About N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine

N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine (PubChem CID 77079753) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine
PubChem CID77079753
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine
SMILESCN(CCn1cccn1)CC1CCOC(C)(C)C1
InChIInChI=1S/C14H25N3O/c1-14(2)11-13(5-10-18-14)12-16(3)8-9-17-7-4-6-15-17/h4,6-7,13H,5,8-12H2,1-3H3
InChIKeyZHORNKDTEUUORT-UHFFFAOYSA-N
XLogP2.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine (CID 77079753) is N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine is CN(CCn1cccn1)CC1CCOC(C)(C)C1.
What is the InChIKey of N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine?
The InChIKey is ZHORNKDTEUUORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2)11-13(5-10-18-14)12-16(3)8-9-17-7-4-6-15-17/h4,6-7,13H,5,8-12H2,1-3H3.
What are the key properties of N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine?
N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyloxan-4-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 77079753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).