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

C16H29N3O2 — CID 116765990

IUPACN-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)C1(OCC)CCOCC1
InChIInChI=1S/C16H29N3O2/c1-4-8-17-15(11-14-12-18-19(3)13-14)16(21-5-2)6-9-20-10-7-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyNUGGTPVXXBHYJL-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.92
Rot. Bonds8

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

N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 116765990) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID116765990
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)C1(OCC)CCOCC1
InChIInChI=1S/C16H29N3O2/c1-4-8-17-15(11-14-12-18-19(3)13-14)16(21-5-2)6-9-20-10-7-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyNUGGTPVXXBHYJL-UHFFFAOYSA-N
XLogP1.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116766787
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 103559122
1-(2-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103011487
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798044
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 116765990) is N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)C1(OCC)CCOCC1.
What is the InChIKey of N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is NUGGTPVXXBHYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-8-17-15(11-14-12-18-19(3)13-14)16(21-5-2)6-9-20-10-7-16/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116765990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).