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

C15H29N3 — CID 64799152

IUPACN-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C15H29N3/c1-5-9-13(6-2)16-12-14-10-11-18(17-14)15(7-3)8-4/h10-11,13,15-16H,5-9,12H2,1-4H3
InChIKeyWDHLIZQULLGWMD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.91
Rot. Bonds9

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

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine (PubChem CID 64799152) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
PubChem CID64799152
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C15H29N3/c1-5-9-13(6-2)16-12-14-10-11-18(17-14)15(7-3)8-4/h10-11,13,15-16H,5-9,12H2,1-4H3
InChIKeyWDHLIZQULLGWMD-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
CID 106024325
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 114161157
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-chlorobutan-2-amine
CID 65026559
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
N-[(1-propan-2-ylpyrazol-3-yl)methyl]hex-1-yn-3-amine
CID 106229761

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine?
The IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine (CID 64799152) is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine?
The canonical SMILES for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine is CCCC(CC)NCc1ccn(C(CC)CC)n1.
What is the InChIKey of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine?
The InChIKey is WDHLIZQULLGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-9-13(6-2)16-12-14-10-11-18(17-14)15(7-3)8-4/h10-11,13,15-16H,5-9,12H2,1-4H3.
What are the key properties of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine?
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine is sourced from PubChem (CID 64799152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).