3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine

C15H29N3 — CID 64801245

IUPAC3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C15H29N3/c1-6-12(4)13(5)16-11-14-9-10-18(17-14)15(7-2)8-3/h9-10,12-13,15-16H,6-8,11H2,1-5H3
InChIKeyUWJNIODZVMACLD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.77
Rot. Bonds8

About 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine

3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine (PubChem CID 64801245) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
PubChem CID64801245
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C15H29N3/c1-6-12(4)13(5)16-11-14-9-10-18(17-14)15(7-2)8-3/h9-10,12-13,15-16H,6-8,11H2,1-5H3
InChIKeyUWJNIODZVMACLD-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 114161157
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
CID 106024325
1-(5-chlorothiophen-2-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 64800287
(1R)-1-(3-chlorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81362448
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 64800130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine (CID 64801245) is 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine is CCC(C)C(C)NCc1ccn(C(CC)CC)n1.
What is the InChIKey of 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine?
The InChIKey is UWJNIODZVMACLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-12(4)13(5)16-11-14-9-10-18(17-14)15(7-2)8-3/h9-10,12-13,15-16H,6-8,11H2,1-5H3.
What are the key properties of 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine?
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 64801245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).