(E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine

C12H24N2 — CID 70321782

IUPAC(E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCN(C)CC1CCNCC1
InChIInChI=1S/C12H24N2/c1-3-4-5-10-14(2)11-12-6-8-13-9-7-12/h3-4,12-13H,5-11H2,1-2H3/b4-3+
InChIKeySFEGIKBFASJICG-ONEGZZNKSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds5

About (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine

(E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine (PubChem CID 70321782) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine
PubChem CID70321782
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCN(C)CC1CCNCC1
InChIInChI=1S/C12H24N2/c1-3-4-5-10-14(2)11-12-6-8-13-9-7-12/h3-4,12-13H,5-11H2,1-2H3/b4-3+
InChIKeySFEGIKBFASJICG-ONEGZZNKSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine (CID 70321782) is (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine is C/C=C/CCN(C)CC1CCNCC1.
What is the InChIKey of (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine?
The InChIKey is SFEGIKBFASJICG-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-5-10-14(2)11-12-6-8-13-9-7-12/h3-4,12-13H,5-11H2,1-2H3/b4-3+.
What are the key properties of (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine?
(E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(piperidin-4-ylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 70321782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).