1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine

C17H31N3O — CID 103169839

IUPAC1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1cnn(C)c1)CC1CC(OCC)C1
InChIInChI=1S/C17H31N3O/c1-4-8-18-16(7-6-14-12-19-20(3)13-14)9-15-10-17(11-15)21-5-2/h12-13,15-18H,4-11H2,1-3H3
InChIKeyDORMTHWURSYYDF-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.93
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine

1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine (PubChem CID 103169839) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
PubChem CID103169839
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1cnn(C)c1)CC1CC(OCC)C1
InChIInChI=1S/C17H31N3O/c1-4-8-18-16(7-6-14-12-19-20(3)13-14)9-15-10-17(11-15)21-5-2/h12-13,15-18H,4-11H2,1-3H3
InChIKeyDORMTHWURSYYDF-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
CID 103012413
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine (CID 103169839) is 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine is CCCNC(CCc1cnn(C)c1)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is DORMTHWURSYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-8-18-16(7-6-14-12-19-20(3)13-14)9-15-10-17(11-15)21-5-2/h12-13,15-18H,4-11H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 103169839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).