(1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine

C11H20N2 — CID 153362785

IUPAC(1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine
SMILESC=C/C(=C(\N)N1CCCC1)C(C)C
InChIInChI=1S/C11H20N2/c1-4-10(9(2)3)11(12)13-7-5-6-8-13/h4,9H,1,5-8,12H2,2-3H3/b11-10-
InChIKeyFEZHNJSLRRPQPJ-KHPPLWFESA-N
MW180.29 g/mol
LogP2.09
Rot. Bonds3

About (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine

(1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine (PubChem CID 153362785) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine
PubChem CID153362785
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine
SMILESC=C/C(=C(\N)N1CCCC1)C(C)C
InChIInChI=1S/C11H20N2/c1-4-10(9(2)3)11(12)13-7-5-6-8-13/h4,9H,1,5-8,12H2,2-3H3/b11-10-
InChIKeyFEZHNJSLRRPQPJ-KHPPLWFESA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine (CID 153362785) is (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine is C=C/C(=C(\N)N1CCCC1)C(C)C.
What is the InChIKey of (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine?
The InChIKey is FEZHNJSLRRPQPJ-KHPPLWFESA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(9(2)3)11(12)13-7-5-6-8-13/h4,9H,1,5-8,12H2,2-3H3/b11-10-.
What are the key properties of (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine?
(1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-propan-2-yl-1-pyrrolidin-1-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 153362785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).