N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine

C16H30N4O — CID 79665970

IUPACN-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H30N4O/c1-5-6-17-15(9-14-10-18-19(4)11-14)16-12-20(13(2)3)7-8-21-16/h10-11,13,15-17H,5-9,12H2,1-4H3
InChIKeyGIFYWSZNBNGPRX-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.44
Rot. Bonds7

About N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine

N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine (PubChem CID 79665970) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
PubChem CID79665970
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H30N4O/c1-5-6-17-15(9-14-10-18-19(4)11-14)16-12-20(13(2)3)7-8-21-16/h10-11,13,15-17H,5-9,12H2,1-4H3
InChIKeyGIFYWSZNBNGPRX-UHFFFAOYSA-N
XLogP1.44
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79962360
N-[1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79662546
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 79664970
N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 79665233
N-[2-cyclopropyl-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665414
N-[2-ethoxy-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79662427
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79663134
N-ethyl-1-(4-propan-2-ylmorpholin-2-yl)-2-pyridin-3-ylethanamine
CID 104736588
3-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine
CID 103011425
N-[(2-methylpyrazol-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79662895
1-(4-propan-2-ylmorpholin-2-yl)-N-propylpent-4-en-1-amine
CID 79663133
3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
CID 79662653

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine (CID 79665970) is N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)C1CN(C(C)C)CCO1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine?
The InChIKey is GIFYWSZNBNGPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-6-17-15(9-14-10-18-19(4)11-14)16-12-20(13(2)3)7-8-21-16/h10-11,13,15-17H,5-9,12H2,1-4H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine?
N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79665970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).