4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine

C14H26N4O — CID 119110486

IUPAC4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
SMILESCC1CN(CCCCNCc2ccn[nH]2)CC(C)O1
InChIInChI=1S/C14H26N4O/c1-12-10-18(11-13(2)19-12)8-4-3-6-15-9-14-5-7-16-17-14/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,16,17)
InChIKeyUVIIDKOACVOYJM-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.39
Rot. Bonds7

About 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine

4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine (PubChem CID 119110486) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
PubChem CID119110486
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
SMILESCC1CN(CCCCNCc2ccn[nH]2)CC(C)O1
InChIInChI=1S/C14H26N4O/c1-12-10-18(11-13(2)19-12)8-4-3-6-15-9-14-5-7-16-17-14/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,16,17)
InChIKeyUVIIDKOACVOYJM-UHFFFAOYSA-N
XLogP1.39
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine (CID 119110486) is 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine is CC1CN(CCCCNCc2ccn[nH]2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine?
The InChIKey is UVIIDKOACVOYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-10-18(11-13(2)19-12)8-4-3-6-15-9-14-5-7-16-17-14/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,16,17).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 119110486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).