(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine

C17H26N2O — CID 10107420

IUPAC(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine
SMILESCN[C@H](C)C/C=C/c1cncc(OC2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h6,8,11-14,16,18H,3-5,7,9-10H2,1-2H3/b8-6+/t14-/m1/s1
InChIKeyIILDXAVCPGVTRJ-IZPAUZPXSA-N
MW274.41 g/mol
LogP3.80
Rot. Bonds6

About (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine

(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine (PubChem CID 10107420) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine
PubChem CID10107420
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine
SMILESCN[C@H](C)C/C=C/c1cncc(OC2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h6,8,11-14,16,18H,3-5,7,9-10H2,1-2H3/b8-6+/t14-/m1/s1
InChIKeyIILDXAVCPGVTRJ-IZPAUZPXSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
The IUPAC name of (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine (CID 10107420) is (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine is CN[C@H](C)C/C=C/c1cncc(OC2CCCCC2)c1.
What is the InChIKey of (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
The InChIKey is IILDXAVCPGVTRJ-IZPAUZPXSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h6,8,11-14,16,18H,3-5,7,9-10H2,1-2H3/b8-6+/t14-/m1/s1.
What are the key properties of (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine?
(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 10107420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).