N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine

C11H20N2 — CID 91114286

IUPACN-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine
SMILESC=CC=C(CNC)C1CCN(C)C1
InChIInChI=1S/C11H20N2/c1-4-5-10(8-12-2)11-6-7-13(3)9-11/h4-5,11-12H,1,6-9H2,2-3H3
InChIKeyGQPNKHGEUVCZKU-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.27
Rot. Bonds4

About N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine

N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine (PubChem CID 91114286) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine
PubChem CID91114286
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine
SMILESC=CC=C(CNC)C1CCN(C)C1
InChIInChI=1S/C11H20N2/c1-4-5-10(8-12-2)11-6-7-13(3)9-11/h4-5,11-12H,1,6-9H2,2-3H3
InChIKeyGQPNKHGEUVCZKU-UHFFFAOYSA-N
XLogP1.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydroisoindoline
CID 18315888
(3Z,5E)-5-fluoro-2-methyl-4-(1-methylpyrrolidin-3-yl)hepta-3,5-dien-2-amine
CID 126490055
3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-methylpyrrolidine
CID 144301362
(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine
CID 166158084
N-(2,3,7,7a-tetrahydro-1H-isoindol-5-ylmethyl)prop-2-en-1-amine
CID 139250249
(5,6-Dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine
CID 19755352
6-methyl-2,3,3a,7a-tetrahydro-1H-indole
CID 20445390
3-Hex-2-enylpyrrolidine
CID 53753206
5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indole
CID 58147805
3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine
CID 59014917
2-Methyl-1,3,3a,4-tetrahydroisoindole
CID 66962228
4-methyl-2,3,3a,7a-tetrahydro-1H-indole
CID 68079996

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine?
The IUPAC name of N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine (CID 91114286) is N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine?
The canonical SMILES for N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine is C=CC=C(CNC)C1CCN(C)C1.
What is the InChIKey of N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine?
The InChIKey is GQPNKHGEUVCZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-10(8-12-2)11-6-7-13(3)9-11/h4-5,11-12H,1,6-9H2,2-3H3.
What are the key properties of N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine?
N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine has a molecular weight of 180.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrrolidin-3-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 91114286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).