3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine

C15H29N3 — CID 63889821

IUPAC3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cnn(CCC)c1
InChIInChI=1S/C15H29N3/c1-6-8-16-14(10-15(3,4)5)13-11-17-18(12-13)9-7-2/h11-12,14,16H,6-10H2,1-5H3
InChIKeySDFPDPHANXZSRJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.77
Rot. Bonds7

About 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine

3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine (PubChem CID 63889821) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
PubChem CID63889821
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cnn(CCC)c1
InChIInChI=1S/C15H29N3/c1-6-8-16-14(10-15(3,4)5)13-11-17-18(12-13)9-7-2/h11-12,14,16H,6-10H2,1-5H3
InChIKeySDFPDPHANXZSRJ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
CID 43497373
N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 115807952
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731623

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine (CID 63889821) is 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine is CCCNC(CC(C)(C)C)c1cnn(CCC)c1.
What is the InChIKey of 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The InChIKey is SDFPDPHANXZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-8-16-14(10-15(3,4)5)13-11-17-18(12-13)9-7-2/h11-12,14,16H,6-10H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 63889821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).