1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine

C13H24N2 — CID 106223603

IUPAC1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine
SMILESC#CC(CCC)N1CCC(NC)C(C)C1
InChIInChI=1S/C13H24N2/c1-5-7-12(6-2)15-9-8-13(14-4)11(3)10-15/h2,11-14H,5,7-10H2,1,3-4H3
InChIKeyIKDYEGCGVRNBKW-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds4

About 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine

1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine (PubChem CID 106223603) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine
PubChem CID106223603
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine
SMILESC#CC(CCC)N1CCC(NC)C(C)C1
InChIInChI=1S/C13H24N2/c1-5-7-12(6-2)15-9-8-13(14-4)11(3)10-15/h2,11-14H,5,7-10H2,1,3-4H3
InChIKeyIKDYEGCGVRNBKW-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hex-1-yn-3-yl-3-methylpiperidin-4-amine
CID 106223617
N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine
CID 106223599
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
N,3-dimethyl-1-(1-phenylpropyl)piperidin-4-amine
CID 62304545
N,N-diethyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499097
N,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54976100
N,3-dimethyl-1-propan-2-ylazepan-4-amine
CID 142347784
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
N,N-dimethyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499126
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
N,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910883
1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine (CID 106223603) is 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine is C#CC(CCC)N1CCC(NC)C(C)C1.
What is the InChIKey of 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine?
The InChIKey is IKDYEGCGVRNBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-12(6-2)15-9-8-13(14-4)11(3)10-15/h2,11-14H,5,7-10H2,1,3-4H3.
What are the key properties of 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine?
1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine has a molecular weight of 208.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 106223603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).