(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine

C11H19N — CID 137457731

IUPAC(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine
SMILESC=CC(=C)[C@@H](C)N(C)/C(C)=C/C
InChIInChI=1S/C11H19N/c1-7-9(3)11(5)12(6)10(4)8-2/h7-8,11H,1,3H2,2,4-6H3/b10-8+/t11-/m1/s1
InChIKeyPRFVBBMGFYFHOQ-RJCSOLBVSA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds4

About (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine

(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine (PubChem CID 137457731) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine
PubChem CID137457731
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine
SMILESC=CC(=C)[C@@H](C)N(C)/C(C)=C/C
InChIInChI=1S/C11H19N/c1-7-9(3)11(5)12(6)10(4)8-2/h7-8,11H,1,3H2,2,4-6H3/b10-8+/t11-/m1/s1
InChIKeyPRFVBBMGFYFHOQ-RJCSOLBVSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine?
The IUPAC name of (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine (CID 137457731) is (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine.
What is the SMILES notation for (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine?
The canonical SMILES for (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine is C=CC(=C)[C@@H](C)N(C)/C(C)=C/C.
What is the InChIKey of (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine?
The InChIKey is PRFVBBMGFYFHOQ-RJCSOLBVSA-N. The full InChI is InChI=1S/C11H19N/c1-7-9(3)11(5)12(6)10(4)8-2/h7-8,11H,1,3H2,2,4-6H3/b10-8+/t11-/m1/s1.
What are the key properties of (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine?
(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine is sourced from PubChem (CID 137457731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).