(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine

C11H22N2 — CID 135032990

IUPAC(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine
SMILESC=CCC[C@H]1CC[C@@H](C)N1N(C)C
InChIInChI=1S/C11H22N2/c1-5-6-7-11-9-8-10(2)13(11)12(3)4/h5,10-11H,1,6-9H2,2-4H3/t10-,11+/m1/s1
InChIKeyPINIQWGQSNFWIX-MNOVXSKESA-N
MW182.31 g/mol
LogP2.28
Rot. Bonds4

About (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine

(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine (PubChem CID 135032990) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine.

Molecular Properties

Compound Name(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine
PubChem CID135032990
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine
SMILESC=CCC[C@H]1CC[C@@H](C)N1N(C)C
InChIInChI=1S/C11H22N2/c1-5-6-7-11-9-8-10(2)13(11)12(3)4/h5,10-11H,1,6-9H2,2-4H3/t10-,11+/m1/s1
InChIKeyPINIQWGQSNFWIX-MNOVXSKESA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Allyl-1-ethylpyrrolidine
CID 11829524
allyl N-butylpyrrolidine
CID 129724238
(2R)-2-hex-5-enyl-1-methylpyrrolidine
CID 11819408
2-but-3-enyl-N,N,4,4-tetramethylpyrrolidin-1-amine
CID 101907276
(2S)-2-hex-5-enyl-1-prop-2-enylpyrrolidine
CID 134905415
(2R)-2-hex-5-enyl-1-prop-2-enylpyrrolidine
CID 134905703
(2S)-2-hex-5-enyl-1-methylpyrrolidine
CID 134905773
2-but-3-enyl-N,N-dimethylpiperidin-1-amine
CID 135045768
(2S,4R)-2-but-3-enyl-N,N-dimethyl-4-propan-2-ylpyrrolidin-1-amine
CID 135045769
(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine
CID 135045780
2-Ethyl-5-(13-tetradecenyl)pyrrolidine
CID 574591
1,2-Diethyl-5-(12-tridecenyl)pyrrolidine
CID 581182

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine?
The IUPAC name of (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine (CID 135032990) is (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine.
What is the SMILES notation for (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine?
The canonical SMILES for (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine is C=CCC[C@H]1CC[C@@H](C)N1N(C)C.
What is the InChIKey of (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine?
The InChIKey is PINIQWGQSNFWIX-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2/c1-5-6-7-11-9-8-10(2)13(11)12(3)4/h5,10-11H,1,6-9H2,2-4H3/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine?
(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine is sourced from PubChem (CID 135032990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).