4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine

C14H27N3O — CID 103035714

IUPAC4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccn(C)n1
InChIInChI=1S/C14H27N3O/c1-6-10-15-12(7-9-14(2,3)18-5)13-8-11-17(4)16-13/h8,11-12,15H,6-7,9-10H2,1-5H3
InChIKeyTXLLZPAAVAMGTI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.67
Rot. Bonds8

About 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine

4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine (PubChem CID 103035714) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
PubChem CID103035714
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccn(C)n1
InChIInChI=1S/C14H27N3O/c1-6-10-15-12(7-9-14(2,3)18-5)13-8-11-17(4)16-13/h8,11-12,15H,6-7,9-10H2,1-5H3
InChIKeyTXLLZPAAVAMGTI-UHFFFAOYSA-N
XLogP2.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031164
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
CID 103031134
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine (CID 103035714) is 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1ccn(C)n1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine?
The InChIKey is TXLLZPAAVAMGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-10-15-12(7-9-14(2,3)18-5)13-8-11-17(4)16-13/h8,11-12,15H,6-7,9-10H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103035714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).