N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine

C11H22N2 — CID 106191040

IUPACN-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
SMILESCCNC1CCN(CC=C(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-12-11-6-8-13(9-11)7-5-10(2)3/h5,11-12H,4,6-9H2,1-3H3
InChIKeyMKWAAVOFWYOXKH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds4

About N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine

N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine (PubChem CID 106191040) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
PubChem CID106191040
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
SMILESCCNC1CCN(CC=C(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-12-11-6-8-13(9-11)7-5-10(2)3/h5,11-12H,4,6-9H2,1-3H3
InChIKeyMKWAAVOFWYOXKH-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10513351
(3S)-N-methyl-4-methylidenepyrrolidin-3-amine
CID 10197654
N-methyl-4-methylidenepyrrolidin-3-amine
CID 15136237
1H-Pyrrolo[3,4-B]pyridine, 2,3,5,6,7,7A-hexahydro-1-methyl-
CID 19047598
N,N-bis(prop-2-enyl)pyrrolidin-3-amine
CID 53410660
N-methyl-1-prop-2-enylpyrrolidin-3-amine
CID 54384316
N-(2,5-dihydro-1H-pyrrol-3-ylmethyl)propan-2-amine
CID 59789500
1-propan-2-yl-N-prop-2-enylpyrrolidin-3-amine
CID 61979873
1-methyl-N-prop-2-enylpyrrolidin-3-amine
CID 62142409
N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine
CID 62384356
N-ethyl-N-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 63300406
N-but-3-enyl-1-methylpyrrolidin-3-amine
CID 64315358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine (CID 106191040) is N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine is CCNC1CCN(CC=C(C)C)C1.
What is the InChIKey of N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine?
The InChIKey is MKWAAVOFWYOXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-12-11-6-8-13(9-11)7-5-10(2)3/h5,11-12H,4,6-9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine?
N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine is sourced from PubChem (CID 106191040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).