(Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine

C11H22N2 — CID 170325866

IUPAC(Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine
SMILESCC/C=C(/C1CCCN1C)N(C)C
InChIInChI=1S/C11H22N2/c1-5-7-10(12(2)3)11-8-6-9-13(11)4/h7,11H,5-6,8-9H2,1-4H3/b10-7-
InChIKeyNIAMBZLMHXQSMZ-YFHOEESVSA-N
MW182.31 g/mol
LogP1.94
Rot. Bonds3

About (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine

(Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine (PubChem CID 170325866) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine
PubChem CID170325866
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine
SMILESCC/C=C(/C1CCCN1C)N(C)C
InChIInChI=1S/C11H22N2/c1-5-7-10(12(2)3)11-8-6-9-13(11)4/h7,11H,5-6,8-9H2,1-4H3/b10-7-
InChIKeyNIAMBZLMHXQSMZ-YFHOEESVSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine (CID 170325866) is (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine is CC/C=C(/C1CCCN1C)N(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
The InChIKey is NIAMBZLMHXQSMZ-YFHOEESVSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-10(12(2)3)11-8-6-9-13(11)4/h7,11H,5-6,8-9H2,1-4H3/b10-7-.
What are the key properties of (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
(Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine is sourced from PubChem (CID 170325866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).