N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine

C13H24N2 — CID 58949437

IUPACN,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine
SMILESCC(C)C#CCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H24N2/c1-12(2)6-5-9-15-10-7-13(8-11-15)14(3)4/h12-13H,7-11H2,1-4H3
InChIKeyPDKPRIOXSIETIF-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.67
Rot. Bonds2

About N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine

N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine (PubChem CID 58949437) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine
PubChem CID58949437
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine
SMILESCC(C)C#CCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H24N2/c1-12(2)6-5-9-15-10-7-13(8-11-15)14(3)4/h12-13H,7-11H2,1-4H3
InChIKeyPDKPRIOXSIETIF-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine 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

methyl-methylidene-[1-(4-methylpent-2-ynyl)pyrrolidin-3-yl]-λ4-sulfane
CID 178104354
1-[1-(4-methylpentyl)piperidin-4-yl]-4-(4-methylpent-2-ynyl)piperazine
CID 177125916
N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine
CID 142616104
1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
CID 66453838
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
1-cyclopropyl-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 63908245
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
5-pyrrolidin-1-ylpent-3-yn-2-ol
CID 3480981

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine (CID 58949437) is N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine is CC(C)C#CCN1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine?
The InChIKey is PDKPRIOXSIETIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2)6-5-9-15-10-7-13(8-11-15)14(3)4/h12-13H,7-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine?
N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine has a molecular weight of 208.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine is sourced from PubChem (CID 58949437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).