N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine

C13H26N2 — CID 79714489

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine
SMILESC=CC(C)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C13H26N2/c1-5-12(4)15(11(2)3)10-13-6-8-14-9-7-13/h5,11-14H,1,6-10H2,2-4H3
InChIKeyVRVWFSMBGMBIDX-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.27
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine

N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine (PubChem CID 79714489) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine
PubChem CID79714489
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine
SMILESC=CC(C)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C13H26N2/c1-5-12(4)15(11(2)3)10-13-6-8-14-9-7-13/h5,11-14H,1,6-10H2,2-4H3
InChIKeyVRVWFSMBGMBIDX-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79715051
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
ethyl 2-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79714662
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698904
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715152

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine (CID 79714489) is N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine is C=CC(C)N(CC1CCNCC1)C(C)C.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine?
The InChIKey is VRVWFSMBGMBIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-12(4)15(11(2)3)10-13-6-8-14-9-7-13/h5,11-14H,1,6-10H2,2-4H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine?
N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine has a molecular weight of 210.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine is sourced from PubChem (CID 79714489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).