N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine

C17H31N3O — CID 80684207

IUPACN-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C1(C)CCCCO1
InChIInChI=1S/C17H31N3O/c1-5-10-18-16(17(4)9-6-7-12-21-17)13-15-8-11-20(19-15)14(2)3/h8,11,14,16,18H,5-7,9-10,12-13H2,1-4H3
InChIKeyOVRQUNPVZXXJOV-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.33
Rot. Bonds7

About N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 80684207) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID80684207
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C1(C)CCCCO1
InChIInChI=1S/C17H31N3O/c1-5-10-18-16(17(4)9-6-7-12-21-17)13-15-8-11-20(19-15)14(2)3/h8,11,14,16,18H,5-7,9-10,12-13H2,1-4H3
InChIKeyOVRQUNPVZXXJOV-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
[1-(2-methyloxan-2-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105256099
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 104990204
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
N-[1-(2-methyloxolan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736619
1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243166
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 82876946
N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116714664

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine (CID 80684207) is N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C(C)C)n1)C1(C)CCCCO1.
What is the InChIKey of N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is OVRQUNPVZXXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-10-18-16(17(4)9-6-7-12-21-17)13-15-8-11-20(19-15)14(2)3/h8,11,14,16,18H,5-7,9-10,12-13H2,1-4H3.
What are the key properties of N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80684207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).