N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide

C13H20N2O — CID 143038779

IUPACN-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide
SMILESCN(C)CC1=CC(C)(C)C=CC=C1NC=O
InChIInChI=1S/C13H20N2O/c1-13(2)7-5-6-12(14-10-16)11(8-13)9-15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyDWTLICYUTIWAOO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.70
Rot. Bonds4

About N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide

N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide (PubChem CID 143038779) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide.

Molecular Properties

Compound NameN-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide
PubChem CID143038779
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide
SMILESCN(C)CC1=CC(C)(C)C=CC=C1NC=O
InChIInChI=1S/C13H20N2O/c1-13(2)7-5-6-12(14-10-16)11(8-13)9-15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyDWTLICYUTIWAOO-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide?
The IUPAC name of N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide (CID 143038779) is N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide.
What is the SMILES notation for N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide?
The canonical SMILES for N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide is CN(C)CC1=CC(C)(C)C=CC=C1NC=O.
What is the InChIKey of N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide?
The InChIKey is DWTLICYUTIWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2)7-5-6-12(14-10-16)11(8-13)9-15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16).
What are the key properties of N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide?
N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide has a molecular weight of 220.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide is sourced from PubChem (CID 143038779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).