3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine

C16H32N4 — CID 79063965

IUPAC3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine
SMILESCCC(CC)n1ccc(CC(N)C(C)(CC)N(C)C)n1
InChIInChI=1S/C16H32N4/c1-7-14(8-2)20-11-10-13(18-20)12-15(17)16(4,9-3)19(5)6/h10-11,14-15H,7-9,12,17H2,1-6H3
InChIKeyOQCCNXVMPHMNNT-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.84
Rot. Bonds8

About 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine

3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine (PubChem CID 79063965) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine
PubChem CID79063965
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine
SMILESCCC(CC)n1ccc(CC(N)C(C)(CC)N(C)C)n1
InChIInChI=1S/C16H32N4/c1-7-14(8-2)20-11-10-13(18-20)12-15(17)16(4,9-3)19(5)6/h10-11,14-15H,7-9,12,17H2,1-6H3
InChIKeyOQCCNXVMPHMNNT-UHFFFAOYSA-N
XLogP2.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine (CID 79063965) is 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine is CCC(CC)n1ccc(CC(N)C(C)(CC)N(C)C)n1.
What is the InChIKey of 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine?
The InChIKey is OQCCNXVMPHMNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-14(8-2)20-11-10-13(18-20)12-15(17)16(4,9-3)19(5)6/h10-11,14-15H,7-9,12,17H2,1-6H3.
What are the key properties of 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine?
3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine is sourced from PubChem (CID 79063965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).