(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine

C10H20N2 — CID 143248520

IUPAC(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine
SMILESC/C=C\CN(C)CC1CCNC1
InChIInChI=1S/C10H20N2/c1-3-4-7-12(2)9-10-5-6-11-8-10/h3-4,10-11H,5-9H2,1-2H3/b4-3-
InChIKeyMFHLJEHQYKADJM-ARJAWSKDSA-N
MW168.28 g/mol
LogP1.10
Rot. Bonds4

About (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine

(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine (PubChem CID 143248520) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine
PubChem CID143248520
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine
SMILESC/C=C\CN(C)CC1CCNC1
InChIInChI=1S/C10H20N2/c1-3-4-7-12(2)9-10-5-6-11-8-10/h3-4,10-11H,5-9H2,1-2H3/b4-3-
InChIKeyMFHLJEHQYKADJM-ARJAWSKDSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.10
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

1-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)methanamine
CID 62860068
3-but-2-enylpyrrolidine
CID 54482809
N-methyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 54596082
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
2-methoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 62371781
3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
CID 84674397
N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
CID 115209057
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-methyl-2-propan-2-yloxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 81055965
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine (CID 143248520) is (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine is C/C=C\CN(C)CC1CCNC1.
What is the InChIKey of (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine?
The InChIKey is MFHLJEHQYKADJM-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-7-12(2)9-10-5-6-11-8-10/h3-4,10-11H,5-9H2,1-2H3/b4-3-.
What are the key properties of (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine?
(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine is sourced from PubChem (CID 143248520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).