N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide

C15H21NO — CID 143588713

IUPACN-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide
SMILESCCCCN(C=O)C1=CC=C=CC(CCC)=C1
InChIInChI=1S/C15H21NO/c1-3-5-11-16(13-17)15-10-7-6-9-14(12-15)8-4-2/h7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyNFLKGGKHKNBDGR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.58
Rot. Bonds7

About N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide

N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide (PubChem CID 143588713) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide.

Molecular Properties

Compound NameN-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide
PubChem CID143588713
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide
SMILESCCCCN(C=O)C1=CC=C=CC(CCC)=C1
InChIInChI=1S/C15H21NO/c1-3-5-11-16(13-17)15-10-7-6-9-14(12-15)8-4-2/h7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyNFLKGGKHKNBDGR-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide?
The IUPAC name of N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide (CID 143588713) is N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide.
What is the SMILES notation for N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide?
The canonical SMILES for N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide is CCCCN(C=O)C1=CC=C=CC(CCC)=C1.
What is the InChIKey of N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide?
The InChIKey is NFLKGGKHKNBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-11-16(13-17)15-10-7-6-9-14(12-15)8-4-2/h7,9-10,12-13H,3-5,8,11H2,1-2H3.
What are the key properties of N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide?
N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide has a molecular weight of 231.34 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide is sourced from PubChem (CID 143588713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).