4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine

C15H28N4O — CID 103011088

IUPAC4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine
SMILESCCC(C)(C(N)CCc1cnn(C)c1)N1CCOCC1
InChIInChI=1S/C15H28N4O/c1-4-15(2,19-7-9-20-10-8-19)14(16)6-5-13-11-17-18(3)12-13/h11-12,14H,4-10,16H2,1-3H3
InChIKeyLWYAKSBHSDUGAH-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.18
Rot. Bonds6

About 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine

4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine (PubChem CID 103011088) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine
PubChem CID103011088
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine
SMILESCCC(C)(C(N)CCc1cnn(C)c1)N1CCOCC1
InChIInChI=1S/C15H28N4O/c1-4-15(2,19-7-9-20-10-8-19)14(16)6-5-13-11-17-18(3)12-13/h11-12,14H,4-10,16H2,1-3H3
InChIKeyLWYAKSBHSDUGAH-UHFFFAOYSA-N
XLogP1.18
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-3-morpholin-4-ylheptan-4-amine
CID 79064955
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79065855
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylpentan-2-amine
CID 79761529
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103029608
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656867
3-(1-methylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 103008326
1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065259
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine?
The IUPAC name of 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine (CID 103011088) is 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine.
What is the SMILES notation for 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine?
The canonical SMILES for 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine is CCC(C)(C(N)CCc1cnn(C)c1)N1CCOCC1.
What is the InChIKey of 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine?
The InChIKey is LWYAKSBHSDUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-15(2,19-7-9-20-10-8-19)14(16)6-5-13-11-17-18(3)12-13/h11-12,14H,4-10,16H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine?
4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine has a molecular weight of 280.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine is sourced from PubChem (CID 103011088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).