(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine

C13H26N2 — CID 106632187

IUPAC(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
SMILESC/C=C/CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H26N2/c1-4-5-10-15(12(2)3)11-13-8-6-7-9-14-13/h4-5,12-14H,6-11H2,1-3H3/b5-4+
InChIKeyOFTOKZAZQJVXAI-SNAWJCMRSA-N
MW210.37 g/mol
LogP2.41
Rot. Bonds5

About (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine

(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine (PubChem CID 106632187) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
PubChem CID106632187
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
SMILESC/C=C/CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H26N2/c1-4-5-10-15(12(2)3)11-13-8-6-7-9-14-13/h4-5,12-14H,6-11H2,1-3H3/b5-4+
InChIKeyOFTOKZAZQJVXAI-SNAWJCMRSA-N
XLogP2.41
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 ≤ 52.41
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-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
CID 106632063
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
2-[(E)-but-2-enyl]piperidine
CID 10261169
(2S)-2-[(E)-but-2-enyl]piperidine
CID 102286170
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
N-(2-piperidin-1-ylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631959
2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632099
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823

Frequently Asked Questions

What is the IUPAC name of (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine (CID 106632187) is (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine is C/C=C/CN(CC1CCCCN1)C(C)C.
What is the InChIKey of (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is OFTOKZAZQJVXAI-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-10-15(12(2)3)11-13-8-6-7-9-14-13/h4-5,12-14H,6-11H2,1-3H3/b5-4+.
What are the key properties of (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine?
(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 210.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 106632187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).