5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine

C15H29N3 — CID 114211898

IUPAC5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)Cc1cnn(C)c1
InChIInChI=1S/C15H29N3/c1-6-9-16-14(7-8-15(2,3)4)10-13-11-17-18(5)12-13/h11-12,14,16H,6-10H2,1-5H3
InChIKeyCWYDSBUJDMEWJD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.16
Rot. Bonds7

About 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine

5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine (PubChem CID 114211898) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
PubChem CID114211898
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)Cc1cnn(C)c1
InChIInChI=1S/C15H29N3/c1-6-9-16-14(7-8-15(2,3)4)10-13-11-17-18(5)12-13/h11-12,14,16H,6-10H2,1-5H3
InChIKeyCWYDSBUJDMEWJD-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 65141127
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 103559122
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine?
The IUPAC name of 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine (CID 114211898) is 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine?
The canonical SMILES for 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine is CCCNC(CCC(C)(C)C)Cc1cnn(C)c1.
What is the InChIKey of 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine?
The InChIKey is CWYDSBUJDMEWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-9-16-14(7-8-15(2,3)4)10-13-11-17-18(5)12-13/h11-12,14,16H,6-10H2,1-5H3.
What are the key properties of 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine?
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 114211898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).