N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide

C19H29N3O — CID 143294459

IUPACN-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide
SMILESCN/C(=C\N(C=O)C1CCN(C)CC1)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C19H29N3O/c1-19(2)10-5-6-16(7-11-19)18(20-3)14-22(15-23)17-8-12-21(4)13-9-17/h5-7,10-11,14-15,17,20H,8-9,12-13H2,1-4H3/b18-14-
InChIKeyDGYWJWQLYFJENQ-JXAWBTAJSA-N
MW315.46 g/mol
LogP2.68
Rot. Bonds5

About N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide

N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide (PubChem CID 143294459) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide
PubChem CID143294459
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide
SMILESCN/C(=C\N(C=O)C1CCN(C)CC1)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C19H29N3O/c1-19(2)10-5-6-16(7-11-19)18(20-3)14-22(15-23)17-8-12-21(4)13-9-17/h5-7,10-11,14-15,17,20H,8-9,12-13H2,1-4H3/b18-14-
InChIKeyDGYWJWQLYFJENQ-JXAWBTAJSA-N
XLogP2.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide?
The IUPAC name of N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide (CID 143294459) is N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide?
The canonical SMILES for N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide is CN/C(=C\N(C=O)C1CCN(C)CC1)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide?
The InChIKey is DGYWJWQLYFJENQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H29N3O/c1-19(2)10-5-6-16(7-11-19)18(20-3)14-22(15-23)17-8-12-21(4)13-9-17/h5-7,10-11,14-15,17,20H,8-9,12-13H2,1-4H3/b18-14-.
What are the key properties of N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide?
N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide has a molecular weight of 315.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide is sourced from PubChem (CID 143294459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).