1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

C15H27N3O — CID 103559122

IUPAC1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)CC1(OC)CCC1
InChIInChI=1S/C15H27N3O/c1-4-8-16-14(9-13-11-17-18(2)12-13)10-15(19-3)6-5-7-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyYRYXKWYCHRJKJP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds8

About 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (PubChem CID 103559122) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
PubChem CID103559122
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)CC1(OC)CCC1
InChIInChI=1S/C15H27N3O/c1-4-8-16-14(9-13-11-17-18(2)12-13)10-15(19-3)6-5-7-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyYRYXKWYCHRJKJP-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107064405
1-(1-methoxycyclobutyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 103559792
1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557055
N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 65141127
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116766787
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (CID 103559122) is 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1cnn(C)c1)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is YRYXKWYCHRJKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-16-14(9-13-11-17-18(2)12-13)10-15(19-3)6-5-7-15/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103559122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).