N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine

C10H20N2 — CID 107906914

IUPACN-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
SMILESC=CC(C)NCCN1CCCC1
InChIInChI=1S/C10H20N2/c1-3-10(2)11-6-9-12-7-4-5-8-12/h3,10-11H,1,4-9H2,2H3
InChIKeyLOKSCPZYZHPTOI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds5

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

N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine (PubChem CID 107906914) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
PubChem CID107906914
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
SMILESC=CC(C)NCCN1CCCC1
InChIInChI=1S/C10H20N2/c1-3-10(2)11-6-9-12-7-4-5-8-12/h3,10-11H,1,4-9H2,2H3
InChIKeyLOKSCPZYZHPTOI-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
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

N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
1-(2-piperidin-1-ylethylamino)ethanethiol
CID 129067667
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
CID 107906758
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine (CID 107906914) is N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine is C=CC(C)NCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine?
The InChIKey is LOKSCPZYZHPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-10(2)11-6-9-12-7-4-5-8-12/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine?
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine is sourced from PubChem (CID 107906914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).