1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne

C19H25N — CID 167639028

IUPAC1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne
SMILESC#CC#CC#CC#CC.CCCCN1CCCCC1C
InChIInChI=1S/C10H21N.C9H4/c1-3-4-8-11-9-6-5-7-10(11)2;1-3-5-7-9-8-6-4-2/h10H,3-9H2,1-2H3;1H,2H3
InChIKeyOWYNBWJBWNGKKY-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.31
Rot. Bonds3

About 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne

1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne (PubChem CID 167639028) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne.

Molecular Properties

Compound Name1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne
PubChem CID167639028
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne
SMILESC#CC#CC#CC#CC.CCCCN1CCCCC1C
InChIInChI=1S/C10H21N.C9H4/c1-3-4-8-11-9-6-5-7-10(11)2;1-3-5-7-9-8-6-4-2/h10H,3-9H2,1-2H3;1H,2H3
InChIKeyOWYNBWJBWNGKKY-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-pentylazepane
CID 134994557
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane
CID 174970526
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
hepta-1,3,5-triyne;methylcyclododecane
CID 167645200
1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
CID 174654202
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
(2R)-1-but-2-ynyl-2-methylpiperidine
CID 142317650
methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
CID 23545715
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne?
The IUPAC name of 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne (CID 167639028) is 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne.
What is the SMILES notation for 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne?
The canonical SMILES for 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne is C#CC#CC#CC#CC.CCCCN1CCCCC1C.
What is the InChIKey of 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne?
The InChIKey is OWYNBWJBWNGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H4/c1-3-4-8-11-9-6-5-7-10(11)2;1-3-5-7-9-8-6-4-2/h10H,3-9H2,1-2H3;1H,2H3.
What are the key properties of 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne?
1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne has a molecular weight of 267.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne is sourced from PubChem (CID 167639028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).