N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

C19H32N2O — CID 123796658

IUPACN-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)C(=CC=C(C)C=C1CCNCC1)CN(C)CCOC
InChIInChI=1S/C19H32N2O/c1-16(2)19(15-21(4)12-13-22-5)7-6-17(3)14-18-8-10-20-11-9-18/h6-7,14,20H,1,8-13,15H2,2-5H3
InChIKeyARQDNNDAQXXVNZ-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.32
Rot. Bonds8

About N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (PubChem CID 123796658) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
PubChem CID123796658
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)C(=CC=C(C)C=C1CCNCC1)CN(C)CCOC
InChIInChI=1S/C19H32N2O/c1-16(2)19(15-21(4)12-13-22-5)7-6-17(3)14-18-8-10-20-11-9-18/h6-7,14,20H,1,8-13,15H2,2-5H3
InChIKeyARQDNNDAQXXVNZ-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (CID 123796658) is N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is C=C(C)C(=CC=C(C)C=C1CCNCC1)CN(C)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The InChIKey is ARQDNNDAQXXVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-16(2)19(15-21(4)12-13-22-5)7-6-17(3)14-18-8-10-20-11-9-18/h6-7,14,20H,1,8-13,15H2,2-5H3.
What are the key properties of N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine has a molecular weight of 304.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is sourced from PubChem (CID 123796658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).