N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine

C16H28N4 — CID 164632055

IUPACN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine
SMILESCCN1CCC[C@H](CN(C)c2ccc(C(C)C)nn2)C1
InChIInChI=1S/C16H28N4/c1-5-20-10-6-7-14(12-20)11-19(4)16-9-8-15(13(2)3)17-18-16/h8-9,13-14H,5-7,10-12H2,1-4H3/t14-/m1/s1
InChIKeyVLRFIUPYNFBDBK-CQSZACIVSA-N
MW276.43 g/mol
LogP2.77
Rot. Bonds5

About N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine (PubChem CID 164632055) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine
PubChem CID164632055
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine
SMILESCCN1CCC[C@H](CN(C)c2ccc(C(C)C)nn2)C1
InChIInChI=1S/C16H28N4/c1-5-20-10-6-7-14(12-20)11-19(4)16-9-8-15(13(2)3)17-18-16/h8-9,13-14H,5-7,10-12H2,1-4H3/t14-/m1/s1
InChIKeyVLRFIUPYNFBDBK-CQSZACIVSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine (CID 164632055) is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine is CCN1CCC[C@H](CN(C)c2ccc(C(C)C)nn2)C1.
What is the InChIKey of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine?
The InChIKey is VLRFIUPYNFBDBK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-20-10-6-7-14(12-20)11-19(4)16-9-8-15(13(2)3)17-18-16/h8-9,13-14H,5-7,10-12H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine?
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 164632055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).