N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine

C11H22N2 — CID 107906758

IUPACN-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
SMILESC=CC(C)NC(C)CN1CCCC1
InChIInChI=1S/C11H22N2/c1-4-10(2)12-11(3)9-13-7-5-6-8-13/h4,10-12H,1,5-9H2,2-3H3
InChIKeyAYUHAIDPBDXWJF-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.63
Rot. Bonds5

About N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine

N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine (PubChem CID 107906758) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
PubChem CID107906758
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
SMILESC=CC(C)NC(C)CN1CCCC1
InChIInChI=1S/C11H22N2/c1-4-10(2)12-11(3)9-13-7-5-6-8-13/h4,10-12H,1,5-9H2,2-3H3
InChIKeyAYUHAIDPBDXWJF-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.63
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

4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
CID 61473845
(2S)-N-phosphanyl-1-pyrrolidin-1-ylpropan-2-amine
CID 143859597
N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61474181
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
N-but-3-en-2-ylpent-4-yn-2-amine
CID 107908035
1-(2-ethenylbut-3-enyl)piperidine;methanamine
CID 144798993
3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile
CID 61473651
3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
CID 115919081
N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide
CID 86804950
N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952865

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine?
The IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine (CID 107906758) is N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine.
What is the SMILES notation for N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine?
The canonical SMILES for N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine is C=CC(C)NC(C)CN1CCCC1.
What is the InChIKey of N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine?
The InChIKey is AYUHAIDPBDXWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10(2)12-11(3)9-13-7-5-6-8-13/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine?
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine is sourced from PubChem (CID 107906758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).