(E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine

C18H35N3 — CID 71034537

IUPAC(E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine
SMILESCCC(C/C=C(\C)NC)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-4-17(9-8-16(2)19-3)21-14-10-18(11-15-21)20-12-6-5-7-13-20/h8,17-19H,4-7,9-15H2,1-3H3/b16-8+
InChIKeyILDPIVDXBXWFSO-LZYBPNLTSA-N
MW293.50 g/mol
LogP3.23
Rot. Bonds6

About (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine

(E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine (PubChem CID 71034537) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine
PubChem CID71034537
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name(E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine
SMILESCCC(C/C=C(\C)NC)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-4-17(9-8-16(2)19-3)21-14-10-18(11-15-21)20-12-6-5-7-13-20/h8,17-19H,4-7,9-15H2,1-3H3/b16-8+
InChIKeyILDPIVDXBXWFSO-LZYBPNLTSA-N
XLogP3.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine?
The IUPAC name of (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine (CID 71034537) is (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine.
What is the SMILES notation for (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine?
The canonical SMILES for (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine is CCC(C/C=C(\C)NC)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine?
The InChIKey is ILDPIVDXBXWFSO-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-17(9-8-16(2)19-3)21-14-10-18(11-15-21)20-12-6-5-7-13-20/h8,17-19H,4-7,9-15H2,1-3H3/b16-8+.
What are the key properties of (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine?
(E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine has a molecular weight of 293.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)hept-2-en-2-amine is sourced from PubChem (CID 71034537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).