N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine

C12H22N2 — CID 167233346

IUPACN-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)N1CCC(C)(C)CC1
InChIInChI=1S/C12H22N2/c1-10(2)13-11(3)14-8-6-12(4,5)7-9-14/h13H,1,3,6-9H2,2,4-5H3
InChIKeyCWMQEQOUIYGBPB-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.70
Rot. Bonds3

About N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine

N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine (PubChem CID 167233346) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine
PubChem CID167233346
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)N1CCC(C)(C)CC1
InChIInChI=1S/C12H22N2/c1-10(2)13-11(3)14-8-6-12(4,5)7-9-14/h13H,1,3,6-9H2,2,4-5H3
InChIKeyCWMQEQOUIYGBPB-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine (CID 167233346) is N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine is C=C(C)NC(=C)N1CCC(C)(C)CC1.
What is the InChIKey of N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
The InChIKey is CWMQEQOUIYGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)13-11(3)14-8-6-12(4,5)7-9-14/h13H,1,3,6-9H2,2,4-5H3.
What are the key properties of N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-dimethylpiperidin-1-yl)ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 167233346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).