6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine

C16H28N4 — CID 62294875

IUPAC6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine
SMILESCCCCCN(c1ccc(CNC2CC2)nn1)C(C)C
InChIInChI=1S/C16H28N4/c1-4-5-6-11-20(13(2)3)16-10-9-15(18-19-16)12-17-14-7-8-14/h9-10,13-14,17H,4-8,11-12H2,1-3H3
InChIKeyAHFSPZRUBWZNDC-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.13
Rot. Bonds9

About 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine

6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine (PubChem CID 62294875) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine
PubChem CID62294875
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine
SMILESCCCCCN(c1ccc(CNC2CC2)nn1)C(C)C
InChIInChI=1S/C16H28N4/c1-4-5-6-11-20(13(2)3)16-10-9-15(18-19-16)12-17-14-7-8-14/h9-10,13-14,17H,4-8,11-12H2,1-3H3
InChIKeyAHFSPZRUBWZNDC-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(ethylaminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
CID 62294532
6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
CID 62286551
6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine
CID 62289414
6-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyridazin-3-amine
CID 55059737
6-[(cyclopropylamino)methyl]-N-propan-2-yl-N-propylpyrazin-2-amine
CID 66457987
N-[(6-octan-2-yloxypyridazin-3-yl)methyl]cyclopropanamine
CID 62291480
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
[6-[propan-2-yl(propyl)amino]pyridazin-3-yl]methanol
CID 61257071
N-(2-methoxyethyl)-N-propan-2-yl-6-(propylaminomethyl)pyridazin-3-amine
CID 82953348
N-ethyl-6-(ethylaminomethyl)-N-propan-2-ylpyridazin-3-amine
CID 62280228
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960156
6-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyrazin-2-amine
CID 66457788

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine?
The IUPAC name of 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine (CID 62294875) is 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine is CCCCCN(c1ccc(CNC2CC2)nn1)C(C)C.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine?
The InChIKey is AHFSPZRUBWZNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-5-6-11-20(13(2)3)16-10-9-15(18-19-16)12-17-14-7-8-14/h9-10,13-14,17H,4-8,11-12H2,1-3H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine?
6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-N-pentyl-N-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 62294875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).