(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine

C11H22N2 — CID 118964770

IUPAC(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine
SMILESC=C(C(C)C)[C@H]1CNCC1NCC
InChIInChI=1S/C11H22N2/c1-5-13-11-7-12-6-10(11)9(4)8(2)3/h8,10-13H,4-7H2,1-3H3/t10-,11?/m1/s1
InChIKeyDWKCEROKFRDIJB-NFJWQWPMSA-N
MW182.31 g/mol
LogP1.40
Rot. Bonds4

About (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine

(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine (PubChem CID 118964770) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine
PubChem CID118964770
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine
SMILESC=C(C(C)C)[C@H]1CNCC1NCC
InChIInChI=1S/C11H22N2/c1-5-13-11-7-12-6-10(11)9(4)8(2)3/h8,10-13H,4-7H2,1-3H3/t10-,11?/m1/s1
InChIKeyDWKCEROKFRDIJB-NFJWQWPMSA-N
XLogP1.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine?
The IUPAC name of (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine (CID 118964770) is (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine is C=C(C(C)C)[C@H]1CNCC1NCC.
What is the InChIKey of (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine?
The InChIKey is DWKCEROKFRDIJB-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-13-11-7-12-6-10(11)9(4)8(2)3/h8,10-13H,4-7H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine?
(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 118964770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).