N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine

C16H29N3O — CID 103030901

IUPACN-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine
SMILESCCNC(CCc1ccnn1C)CCC1CCCCO1
InChIInChI=1S/C16H29N3O/c1-3-17-14(7-9-15-11-12-18-19(15)2)8-10-16-6-4-5-13-20-16/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyHXLQAIOCCPONSF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.68
Rot. Bonds8

About N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine

N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine (PubChem CID 103030901) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine
PubChem CID103030901
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine
SMILESCCNC(CCc1ccnn1C)CCC1CCCCO1
InChIInChI=1S/C16H29N3O/c1-3-17-14(7-9-15-11-12-18-19(15)2)8-10-16-6-4-5-13-20-16/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyHXLQAIOCCPONSF-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
The IUPAC name of N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine (CID 103030901) is N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine is CCNC(CCc1ccnn1C)CCC1CCCCO1.
What is the InChIKey of N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
The InChIKey is HXLQAIOCCPONSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-17-14(7-9-15-11-12-18-19(15)2)8-10-16-6-4-5-13-20-16/h11-12,14,16-17H,3-10,13H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine has a molecular weight of 279.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine is sourced from PubChem (CID 103030901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).