(Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine

C11H20N2 — CID 142002191

IUPAC(Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine
SMILESC=CN(/C=C\C)C[C@H]1CCCNC1
InChIInChI=1S/C11H20N2/c1-3-8-13(4-2)10-11-6-5-7-12-9-11/h3-4,8,11-12H,2,5-7,9-10H2,1H3/b8-3-/t11-/m0/s1
InChIKeySFZMIAUCILREPQ-DZHRUPLWSA-N
MW180.30 g/mol
LogP1.97
Rot. Bonds4

About (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine

(Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine (PubChem CID 142002191) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine
PubChem CID142002191
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine
SMILESC=CN(/C=C\C)C[C@H]1CCCNC1
InChIInChI=1S/C11H20N2/c1-3-8-13(4-2)10-11-6-5-7-12-9-11/h3-4,8,11-12H,2,5-7,9-10H2,1H3/b8-3-/t11-/m0/s1
InChIKeySFZMIAUCILREPQ-DZHRUPLWSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine?
The IUPAC name of (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine (CID 142002191) is (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine is C=CN(/C=C\C)C[C@H]1CCCNC1.
What is the InChIKey of (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine?
The InChIKey is SFZMIAUCILREPQ-DZHRUPLWSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-8-13(4-2)10-11-6-5-7-12-9-11/h3-4,8,11-12H,2,5-7,9-10H2,1H3/b8-3-/t11-/m0/s1.
What are the key properties of (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine?
(Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine has a molecular weight of 180.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-N-[[(3S)-piperidin-3-yl]methyl]prop-1-en-1-amine is sourced from PubChem (CID 142002191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).