(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine

C12H24N2 — CID 135045780

IUPAC(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine
SMILESC=C(C)CC[C@H]1CC[C@@H](C)N1N(C)C
InChIInChI=1S/C12H24N2/c1-10(2)6-8-12-9-7-11(3)14(12)13(4)5/h11-12H,1,6-9H2,2-5H3/t11-,12+/m1/s1
InChIKeyMQXFPRWUZDWHKK-NEPJUHHUSA-N
MW196.34 g/mol
LogP2.67
Rot. Bonds4

About (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine

(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine (PubChem CID 135045780) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine
PubChem CID135045780
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine
SMILESC=C(C)CC[C@H]1CC[C@@H](C)N1N(C)C
InChIInChI=1S/C12H24N2/c1-10(2)6-8-12-9-7-11(3)14(12)13(4)5/h11-12H,1,6-9H2,2-5H3/t11-,12+/m1/s1
InChIKeyMQXFPRWUZDWHKK-NEPJUHHUSA-N
XLogP2.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.67
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

(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine
CID 134855165
(2S,5R)-2-but-3-enyl-N,N,5-trimethylpyrrolidin-1-amine
CID 135032990
1-(7-Methylidenedodecan-6-yl)-4,5-dihydrotriazole
CID 67866947
1-Methyl-2-(3-methylidenepent-4-enyl)pyrrolidine
CID 87132774
1-Methyl-2-(2-methylprop-2-enyl)pyrrolidine
CID 89081846
1-Methyl-2-(3-methylbut-3-enyl)pyrrolidine
CID 89426426
2-(3-Methylbut-3-enyl)pyrrolidin-1-amine
CID 123691833
2-But-1-en-2-yl-1-methylpyrrolidine
CID 129171776
2-(2-Methylprop-2-enyl)-1-propan-2-ylpyrrolidine
CID 129272851
2-Ethyl-1-methyl-5-prop-1-en-2-ylpyrrolidine
CID 134257292
(2S)-1-methyl-2-(3-methylbut-3-enyl)pyrrolidine
CID 134417932
Ethane;2-(2-methylprop-2-enyl)pyrrolidin-1-ide;rubidium(1+)
CID 145332483

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine?
The IUPAC name of (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine (CID 135045780) is (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine.
What is the SMILES notation for (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine?
The canonical SMILES for (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine is C=C(C)CC[C@H]1CC[C@@H](C)N1N(C)C.
What is the InChIKey of (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine?
The InChIKey is MQXFPRWUZDWHKK-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)6-8-12-9-7-11(3)14(12)13(4)5/h11-12H,1,6-9H2,2-5H3/t11-,12+/m1/s1.
What are the key properties of (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine?
(2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N,N,2-trimethyl-5-(3-methylbut-3-enyl)pyrrolidin-1-amine is sourced from PubChem (CID 135045780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).