(3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine

C14H24N2 — CID 167079194

IUPAC(3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine
SMILESC=C/C=C\C(=C)N(C)CCC1CC(C)CN1
InChIInChI=1S/C14H24N2/c1-5-6-7-13(3)16(4)9-8-14-10-12(2)11-15-14/h5-7,12,14-15H,1,3,8-11H2,2,4H3/b7-6-
InChIKeyRZNUXECZJIYXDZ-SREVYHEPSA-N
MW220.36 g/mol
LogP2.56
Rot. Bonds6

About (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine

(3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine (PubChem CID 167079194) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine
PubChem CID167079194
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine
SMILESC=C/C=C\C(=C)N(C)CCC1CC(C)CN1
InChIInChI=1S/C14H24N2/c1-5-6-7-13(3)16(4)9-8-14-10-12(2)11-15-14/h5-7,12,14-15H,1,3,8-11H2,2,4H3/b7-6-
InChIKeyRZNUXECZJIYXDZ-SREVYHEPSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine (CID 167079194) is (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine is C=C/C=C\C(=C)N(C)CCC1CC(C)CN1.
What is the InChIKey of (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine?
The InChIKey is RZNUXECZJIYXDZ-SREVYHEPSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-6-7-13(3)16(4)9-8-14-10-12(2)11-15-14/h5-7,12,14-15H,1,3,8-11H2,2,4H3/b7-6-.
What are the key properties of (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine?
(3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 167079194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).