N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine

C15H29N3O — CID 103034944

IUPACN-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOC(C)(C)CCn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C15H29N3O/c1-11(2)16-10-14-12(3)17-18(13(14)4)9-8-15(5,6)19-7/h11,16H,8-10H2,1-7H3
InChIKeyIZJPHCWLEZMUIP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.81
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine

N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 103034944) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID103034944
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOC(C)(C)CCn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C15H29N3O/c1-11(2)16-10-14-12(3)17-18(13(14)4)9-8-15(5,6)19-7/h11,16H,8-10H2,1-7H3
InChIKeyIZJPHCWLEZMUIP-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 103034944) is N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is COC(C)(C)CCn1nc(C)c(CNC(C)C)c1C.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is IZJPHCWLEZMUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)16-10-14-12(3)17-18(13(14)4)9-8-15(5,6)19-7/h11,16H,8-10H2,1-7H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 103034944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).