(E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine

C12H24N2 — CID 89320105

IUPAC(E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine
SMILESC/C=C(\C(C)N)N1CCC(C)[C@H](C)C1
InChIInChI=1S/C12H24N2/c1-5-12(11(4)13)14-7-6-9(2)10(3)8-14/h5,9-11H,6-8,13H2,1-4H3/b12-5+/t9?,10-,11?/m1/s1
InChIKeyNUIGRQXYUSBXCN-CWICXQOKSA-N
MW196.34 g/mol
LogP2.22
Rot. Bonds2

About (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine

(E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine (PubChem CID 89320105) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine
PubChem CID89320105
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine
SMILESC/C=C(\C(C)N)N1CCC(C)[C@H](C)C1
InChIInChI=1S/C12H24N2/c1-5-12(11(4)13)14-7-6-9(2)10(3)8-14/h5,9-11H,6-8,13H2,1-4H3/b12-5+/t9?,10-,11?/m1/s1
InChIKeyNUIGRQXYUSBXCN-CWICXQOKSA-N
XLogP2.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine?
The IUPAC name of (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine (CID 89320105) is (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine.
What is the SMILES notation for (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine?
The canonical SMILES for (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine is C/C=C(\C(C)N)N1CCC(C)[C@H](C)C1.
What is the InChIKey of (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine?
The InChIKey is NUIGRQXYUSBXCN-CWICXQOKSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(11(4)13)14-7-6-9(2)10(3)8-14/h5,9-11H,6-8,13H2,1-4H3/b12-5+/t9?,10-,11?/m1/s1.
What are the key properties of (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine?
(E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(3S)-3,4-dimethylpiperidin-1-yl]pent-3-en-2-amine is sourced from PubChem (CID 89320105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).