ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine

C15H30N2 — CID 144862335

IUPACethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
SMILESC/C=C\C(CN)=C(/CC)N1CCCCC1.CC
InChIInChI=1S/C13H24N2.C2H6/c1-3-8-12(11-14)13(4-2)15-9-6-5-7-10-15;1-2/h3,8H,4-7,9-11,14H2,1-2H3;1-2H3/b8-3-,13-12-;
InChIKeyLBVLFLXMTXSGLJ-LRKGECITSA-N
MW238.42 g/mol
LogP3.70
Rot. Bonds4

About ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine

ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine (PubChem CID 144862335) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
PubChem CID144862335
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
SMILESC/C=C\C(CN)=C(/CC)N1CCCCC1.CC
InChIInChI=1S/C13H24N2.C2H6/c1-3-8-12(11-14)13(4-2)15-9-6-5-7-10-15;1-2/h3,8H,4-7,9-11,14H2,1-2H3;1-2H3/b8-3-,13-12-;
InChIKeyLBVLFLXMTXSGLJ-LRKGECITSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
The IUPAC name of ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine (CID 144862335) is ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
The canonical SMILES for ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine is C/C=C\C(CN)=C(/CC)N1CCCCC1.CC.
What is the InChIKey of ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
The InChIKey is LBVLFLXMTXSGLJ-LRKGECITSA-N. The full InChI is InChI=1S/C13H24N2.C2H6/c1-3-8-12(11-14)13(4-2)15-9-6-5-7-10-15;1-2/h3,8H,4-7,9-11,14H2,1-2H3;1-2H3/b8-3-,13-12-;.
What are the key properties of ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine is sourced from PubChem (CID 144862335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).