N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine

C19H30N2 — CID 171074691

IUPACN-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine
SMILESC/C=N/C1=C(C)C=C(CC(C)(C)C)CC=C1NC1CCC1
InChIInChI=1S/C19H30N2/c1-6-20-18-14(2)12-15(13-19(3,4)5)10-11-17(18)21-16-8-7-9-16/h6,11-12,16,21H,7-10,13H2,1-5H3/b20-6+
InChIKeyJNNJCNDZFJEJDT-CGOBSMCZSA-N
MW286.46 g/mol
LogP5.14
Rot. Bonds4

About N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine

N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine (PubChem CID 171074691) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound NameN-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine
PubChem CID171074691
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine
SMILESC/C=N/C1=C(C)C=C(CC(C)(C)C)CC=C1NC1CCC1
InChIInChI=1S/C19H30N2/c1-6-20-18-14(2)12-15(13-19(3,4)5)10-11-17(18)21-16-8-7-9-16/h6,11-12,16,21H,7-10,13H2,1-5H3/b20-6+
InChIKeyJNNJCNDZFJEJDT-CGOBSMCZSA-N
XLogP5.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine (CID 171074691) is N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine is C/C=N/C1=C(C)C=C(CC(C)(C)C)CC=C1NC1CCC1.
What is the InChIKey of N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is JNNJCNDZFJEJDT-CGOBSMCZSA-N. The full InChI is InChI=1S/C19H30N2/c1-6-20-18-14(2)12-15(13-19(3,4)5)10-11-17(18)21-16-8-7-9-16/h6,11-12,16,21H,7-10,13H2,1-5H3/b20-6+.
What are the key properties of N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine?
N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 286.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(2,2-dimethylpropyl)-7-(ethylideneamino)-6-methylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 171074691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).