2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine

C16H29N3O — CID 114556046

IUPAC2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine
SMILESCCCn1nccc1CNC1CCOC(CC)(CC)C1
InChIInChI=1S/C16H29N3O/c1-4-10-19-15(7-9-18-19)13-17-14-8-11-20-16(5-2,6-3)12-14/h7,9,14,17H,4-6,8,10-13H2,1-3H3
InChIKeyLWKLXYSZZGYXEM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.12
Rot. Bonds7

About 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine

2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine (PubChem CID 114556046) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine
PubChem CID114556046
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine
SMILESCCCn1nccc1CNC1CCOC(CC)(CC)C1
InChIInChI=1S/C16H29N3O/c1-4-10-19-15(7-9-18-19)13-17-14-8-11-20-16(5-2,6-3)12-14/h7,9,14,17H,4-6,8,10-13H2,1-3H3
InChIKeyLWKLXYSZZGYXEM-UHFFFAOYSA-N
XLogP3.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114556221
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103001948
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
CID 114527733
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-diethyloxan-4-amine
CID 83036440
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine
CID 107911862

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine (CID 114556046) is 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine is CCCn1nccc1CNC1CCOC(CC)(CC)C1.
What is the InChIKey of 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine?
The InChIKey is LWKLXYSZZGYXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-10-19-15(7-9-18-19)13-17-14-8-11-20-16(5-2,6-3)12-14/h7,9,14,17H,4-6,8,10-13H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine?
2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 114556046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).