1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine

C14H27N3O — CID 64784791

IUPAC1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
SMILESCCC(CC)n1ccc(CCC(COC)NC)n1
InChIInChI=1S/C14H27N3O/c1-5-14(6-2)17-10-9-12(16-17)7-8-13(15-3)11-18-4/h9-10,13-15H,5-8,11H2,1-4H3
InChIKeyNHOJYUHFXACBMM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.41
Rot. Bonds9

About 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine

1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine (PubChem CID 64784791) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
PubChem CID64784791
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
SMILESCCC(CC)n1ccc(CCC(COC)NC)n1
InChIInChI=1S/C14H27N3O/c1-5-14(6-2)17-10-9-12(16-17)7-8-13(15-3)11-18-4/h9-10,13-15H,5-8,11H2,1-4H3
InChIKeyNHOJYUHFXACBMM-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 82722023
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
N-ethyl-2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-1-amine
CID 64777207
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
CID 115346469
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butanoic acid
CID 81008710
2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
CID 64778089
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 79198132

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine (CID 64784791) is 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine is CCC(CC)n1ccc(CCC(COC)NC)n1.
What is the InChIKey of 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is NHOJYUHFXACBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-14(6-2)17-10-9-12(16-17)7-8-13(15-3)11-18-4/h9-10,13-15H,5-8,11H2,1-4H3.
What are the key properties of 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 64784791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).