(E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine

C14H28N2O — CID 24961444

IUPAC(E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine
SMILESCN[C@@H](C)C/C=C/C1CNCC(OC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7,11-16H,6,8-10H2,1-4H3/b7-5+/t12-,13?,14?/m0/s1
InChIKeyUJVPDNVIAOJECF-DNJFBCDWSA-N
MW240.39 g/mol
LogP1.94
Rot. Bonds6

About (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine

(E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine (PubChem CID 24961444) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name(E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine
PubChem CID24961444
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine
SMILESCN[C@@H](C)C/C=C/C1CNCC(OC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7,11-16H,6,8-10H2,1-4H3/b7-5+/t12-,13?,14?/m0/s1
InChIKeyUJVPDNVIAOJECF-DNJFBCDWSA-N
XLogP1.94
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine?
The IUPAC name of (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine (CID 24961444) is (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine.
What is the SMILES notation for (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine?
The canonical SMILES for (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine is CN[C@@H](C)C/C=C/C1CNCC(OC(C)C)C1.
What is the InChIKey of (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine?
The InChIKey is UJVPDNVIAOJECF-DNJFBCDWSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7,11-16H,6,8-10H2,1-4H3/b7-5+/t12-,13?,14?/m0/s1.
What are the key properties of (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine?
(E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine has a molecular weight of 240.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine is sourced from PubChem (CID 24961444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).