4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine

C14H27N3 — CID 65200553

IUPAC4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C14H27N3/c1-6-9-15-13(7-8-14(2,3)4)12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyVKUVMHRMKGLGJH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.29
Rot. Bonds6

About 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine

4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine (PubChem CID 65200553) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
PubChem CID65200553
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C14H27N3/c1-6-9-15-13(7-8-14(2,3)4)12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyVKUVMHRMKGLGJH-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711
3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497238

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine (CID 65200553) is 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1cnn(C)c1.
What is the InChIKey of 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine?
The InChIKey is VKUVMHRMKGLGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-9-15-13(7-8-14(2,3)4)12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine?
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 65200553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).