N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine

C14H23N — CID 166913867

IUPACN-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine
SMILESCCC(C)(C)CNC1C=CC=C(C)C=C1
InChIInChI=1S/C14H23N/c1-5-14(3,4)11-15-13-8-6-7-12(2)9-10-13/h6-10,13,15H,5,11H2,1-4H3
InChIKeyXMSINDIDASBANG-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.45
Rot. Bonds4

About N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine

N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine (PubChem CID 166913867) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine
PubChem CID166913867
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine
SMILESCCC(C)(C)CNC1C=CC=C(C)C=C1
InChIInChI=1S/C14H23N/c1-5-14(3,4)11-15-13-8-6-7-12(2)9-10-13/h6-10,13,15H,5,11H2,1-4H3
InChIKeyXMSINDIDASBANG-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine (CID 166913867) is N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine is CCC(C)(C)CNC1C=CC=C(C)C=C1.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is XMSINDIDASBANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14(3,4)11-15-13-8-6-7-12(2)9-10-13/h6-10,13,15H,5,11H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine?
N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 166913867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).