N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine

C11H22N2 — CID 139554852

IUPACN-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine
SMILESC=C(NC)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-9(2)11-5-7-13(8-6-11)10(3)12-4/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyJQWMYVOUIBPTSP-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine

N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine (PubChem CID 139554852) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine
PubChem CID139554852
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine
SMILESC=C(NC)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-9(2)11-5-7-13(8-6-11)10(3)12-4/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyJQWMYVOUIBPTSP-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine (CID 139554852) is N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine is C=C(NC)N1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine?
The InChIKey is JQWMYVOUIBPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)11-5-7-13(8-6-11)10(3)12-4/h9,11-12H,3,5-8H2,1-2,4H3.
What are the key properties of N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine?
N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine has a molecular weight of 182.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylpiperidin-1-yl)ethenamine is sourced from PubChem (CID 139554852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).