N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine

C14H24N2 — CID 142817561

IUPACN-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine
SMILESC=C/C=C(\CC=C)CN1CCC(NC)CC1
InChIInChI=1S/C14H24N2/c1-4-6-13(7-5-2)12-16-10-8-14(15-3)9-11-16/h4-6,14-15H,1-2,7-12H2,3H3/b13-6+
InChIKeyLBMAMNUBPCOFIF-AWNIVKPZSA-N
MW220.36 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine

N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine (PubChem CID 142817561) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine
PubChem CID142817561
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine
SMILESC=C/C=C(\CC=C)CN1CCC(NC)CC1
InChIInChI=1S/C14H24N2/c1-4-6-13(7-5-2)12-16-10-8-14(15-3)9-11-16/h4-6,14-15H,1-2,7-12H2,3H3/b13-6+
InChIKeyLBMAMNUBPCOFIF-AWNIVKPZSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine (CID 142817561) is N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine is C=C/C=C(\CC=C)CN1CCC(NC)CC1.
What is the InChIKey of N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine?
The InChIKey is LBMAMNUBPCOFIF-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-13(7-5-2)12-16-10-8-14(15-3)9-11-16/h4-6,14-15H,1-2,7-12H2,3H3/b13-6+.
What are the key properties of N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine?
N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine has a molecular weight of 220.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine is sourced from PubChem (CID 142817561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).