N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine

C13H23N3O — CID 103903333

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(NCC1(C)CCOCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-11(12-8-15-16(3)9-12)14-10-13(2)4-6-17-7-5-13/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyDBJXGCRFECTXRP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 103903333) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID103903333
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(NCC1(C)CCOCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-11(12-8-15-16(3)9-12)14-10-13(2)4-6-17-7-5-13/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyDBJXGCRFECTXRP-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 86789124
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903380
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115893053
N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103903352
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75428716
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 107386127

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 103903333) is N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine is CC(NCC1(C)CCOCC1)c1cnn(C)c1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is DBJXGCRFECTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(12-8-15-16(3)9-12)14-10-13(2)4-6-17-7-5-13/h8-9,11,14H,4-7,10H2,1-3H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103903333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).