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

C18H29NO — CID 143588712

IUPACN-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane
SMILESCCC.CCCCN(C=O)C1=CC=C=CC(CCC)=C1
InChIInChI=1S/C15H21NO.C3H8/c1-3-5-11-16(13-17)15-10-7-6-9-14(12-15)8-4-2;1-3-2/h7,9-10,12-13H,3-5,8,11H2,1-2H3;3H2,1-2H3
InChIKeyJMXQSMGEHKCKHR-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.00
Rot. Bonds7

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

N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane (PubChem CID 143588712) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane.

Molecular Properties

Compound NameN-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane
PubChem CID143588712
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane
SMILESCCC.CCCCN(C=O)C1=CC=C=CC(CCC)=C1
InChIInChI=1S/C15H21NO.C3H8/c1-3-5-11-16(13-17)15-10-7-6-9-14(12-15)8-4-2;1-3-2/h7,9-10,12-13H,3-5,8,11H2,1-2H3;3H2,1-2H3
InChIKeyJMXQSMGEHKCKHR-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 55.00
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;propane?
The IUPAC name of N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane (CID 143588712) is N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane.
What is the SMILES notation for N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane?
The canonical SMILES for N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane is CCC.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;propane?
The InChIKey is JMXQSMGEHKCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C3H8/c1-3-5-11-16(13-17)15-10-7-6-9-14(12-15)8-4-2;1-3-2/h7,9-10,12-13H,3-5,8,11H2,1-2H3;3H2,1-2H3.
What are the key properties of N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane?
N-butyl-N-(6-propylcyclohepta-1,3,4,6-tetraen-1-yl)formamide;propane has a molecular weight of 275.44 g/mol, XLogP of 5.00, 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;propane is sourced from PubChem (CID 143588712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).