(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane

C16H24N4 — CID 97393463

IUPAC(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
SMILESC=CCN1CCC[C@@]12CCCN(c1ccc(C)nn1)C2
InChIInChI=1S/C16H24N4/c1-3-10-20-12-5-9-16(20)8-4-11-19(13-16)15-7-6-14(2)17-18-15/h3,6-7H,1,4-5,8-13H2,2H3/t16-/m1/s1
InChIKeyINSIWRZSLYTGEF-MRXNPFEDSA-N
MW272.40 g/mol
LogP2.41
Rot. Bonds3

About (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane

(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane (PubChem CID 97393463) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
PubChem CID97393463
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
SMILESC=CCN1CCC[C@@]12CCCN(c1ccc(C)nn1)C2
InChIInChI=1S/C16H24N4/c1-3-10-20-12-5-9-16(20)8-4-11-19(13-16)15-7-6-14(2)17-18-15/h3,6-7H,1,4-5,8-13H2,2H3/t16-/m1/s1
InChIKeyINSIWRZSLYTGEF-MRXNPFEDSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
CID 97449761
(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 131649510
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97484053
(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495304
11-methyl-2-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072674
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
(3S)-3-[(2-methylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxylic acid
CID 95549718
1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane
CID 70779062
(4aS,8aS)-4a-(methoxymethyl)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810525
(5R)-9-(3-fluoro-4-methylphenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 97481900

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane (CID 97393463) is (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane is C=CCN1CCC[C@@]12CCCN(c1ccc(C)nn1)C2.
What is the InChIKey of (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
The InChIKey is INSIWRZSLYTGEF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-10-20-12-5-9-16(20)8-4-11-19(13-16)15-7-6-14(2)17-18-15/h3,6-7H,1,4-5,8-13H2,2H3/t16-/m1/s1.
What are the key properties of (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane?
(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane has a molecular weight of 272.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97393463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).